USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 919 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 TYR OH : rot 160:sc= 0.238 USER MOD Set 1.2: A 67 TYR OH : rot -131:sc= 0.16 USER MOD Set 2.1: A 62 GLN : amide:sc= -2.73! K(o=-2.7!,f=0.071) USER MOD Set 2.2: A 63 GLN : amide:sc=-1.71e-05 K(o=-2.7,f=-9.3!) USER MOD Set 3.1: A 46 MET CE :methyl -136:sc= -0.706 (180deg=-1.1) USER MOD Set 3.2: A 50 LYS NZ :NH3+ 167:sc= 1.3 (180deg=0.52) USER MOD Set 4.1: A 7 GLN : amide:sc= -0.915 K(o=-0.82,f=0.088) USER MOD Set 4.2: A 29 GLN : amide:sc= 0.0926 K(o=-0.82,f=-1.7!) USER MOD Set 5.1: A 10 GLN : amide:sc= 0.0339 K(o=-4.2,f=-2.5) USER MOD Set 5.2: A 25 HIS : no HD1:sc= -4.3! C(o=-4.2!,f=-2.5!) USER MOD Set 5.3: A 26 CYS SG : rot 140:sc= 0.026 USER MOD Single : A 2 SER OG : rot -33:sc= 0.0884 USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 6 LYS NZ :NH3+ 153:sc= 1.25 (180deg=1.05) USER MOD Single : A 8 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0138) USER MOD Single : A 12 ASN : amide:sc= -2.77 K(o=-2.8,f=-0.17) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -131:sc= 0.184 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -1.07 K(o=-1.1,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 60:sc= 0.118 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -2.63! K(o=-2.6!,f=-0.45) USER MOD Single : A 36 GLN : amide:sc= -1.7 K(o=-1.7,f=-0.0032) USER MOD Single : A 37 ASN : amide:sc= -1.41 K(o=-1.4,f=-6.1!) USER MOD Single : A 42 SER OG : rot 38:sc= -0.74! USER MOD Single : A 43 ASN : amide:sc= -0.508 K(o=-0.51,f=-8.2!) USER MOD Single : A 44 LYS NZ :NH3+ 173:sc= 1.23 (180deg=1.17) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.566 USER MOD Single : A 56 GLN : amide:sc= -0.425 X(o=-0.43,f=-0.051) USER MOD Single : A 59 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.12) USER MOD Single : A 60 MET CE :methyl 151:sc= -0.254 (180deg=-1.33) USER MOD Single : A 61 CYS SG : rot 78:sc= -0.32 USER MOD Single : A 68 THR OG1 : rot 100:sc= 0.00408 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0226 USER MOD Single : A 73 HIS : no HE2:sc= -2.24! C(o=-2.2!,f=-3.1!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -164:sc= 1.31 (180deg=1.08) USER MOD Single : A 81 GLN : amide:sc= -5.14! C(o=-5.1!,f=-9.3!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 1.21 K(o=1.2,f=-0.031) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : B 703 THR OG1 : rot -170:sc= 0 USER MOD Single : B 705 MET CE :methyl 160:sc= -5.92! (180deg=-8.11!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 21.591 -12.781 -3.196 1.00 0.00 N ATOM 2 CA SER A 2 20.773 -12.055 -4.185 1.00 0.00 C ATOM 3 C SER A 2 21.313 -10.643 -4.399 1.00 0.00 C ATOM 4 O SER A 2 22.215 -10.203 -3.688 1.00 0.00 O ATOM 5 CB SER A 2 19.312 -12.012 -3.745 1.00 0.00 C ATOM 6 OG SER A 2 19.203 -11.355 -2.499 1.00 0.00 O ATOM 0 HA SER A 2 20.829 -12.589 -5.134 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.713 -11.493 -4.493 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.917 -13.025 -3.667 1.00 0.00 H new ATOM 0 HG SER A 2 20.003 -11.536 -1.962 1.00 0.00 H new ATOM 14 N GLN A 3 20.755 -9.927 -5.381 1.00 0.00 N ATOM 15 CA GLN A 3 21.160 -8.565 -5.709 1.00 0.00 C ATOM 16 C GLN A 3 20.004 -7.799 -6.351 1.00 0.00 C ATOM 17 O GLN A 3 18.972 -8.381 -6.674 1.00 0.00 O ATOM 18 CB GLN A 3 22.373 -8.601 -6.647 1.00 0.00 C ATOM 19 CG GLN A 3 22.043 -9.301 -7.970 1.00 0.00 C ATOM 20 CD GLN A 3 23.247 -9.349 -8.907 1.00 0.00 C ATOM 21 OE1 GLN A 3 24.267 -8.713 -8.661 1.00 0.00 O ATOM 22 NE2 GLN A 3 23.139 -10.111 -9.992 1.00 0.00 N ATOM 0 H GLN A 3 20.004 -10.283 -5.972 1.00 0.00 H new ATOM 0 HA GLN A 3 21.437 -8.046 -4.791 1.00 0.00 H new ATOM 0 HB2 GLN A 3 22.709 -7.584 -6.847 1.00 0.00 H new ATOM 0 HB3 GLN A 3 23.198 -9.119 -6.157 1.00 0.00 H new ATOM 0 HG2 GLN A 3 21.700 -10.316 -7.768 1.00 0.00 H new ATOM 0 HG3 GLN A 3 21.222 -8.779 -8.461 1.00 0.00 H new ATOM 0 HE21 GLN A 3 22.277 -10.628 -10.169 1.00 0.00 H new ATOM 0 HE22 GLN A 3 23.918 -10.179 -10.647 1.00 0.00 H new ATOM 31 N PHE A 4 20.181 -6.488 -6.537 1.00 0.00 N ATOM 32 CA PHE A 4 19.176 -5.626 -7.148 1.00 0.00 C ATOM 33 C PHE A 4 19.890 -4.379 -7.622 1.00 0.00 C ATOM 34 O PHE A 4 19.626 -3.847 -8.693 1.00 0.00 O ATOM 35 CB PHE A 4 18.148 -5.235 -6.081 1.00 0.00 C ATOM 36 CG PHE A 4 17.153 -4.168 -6.501 1.00 0.00 C ATOM 37 CD1 PHE A 4 17.484 -2.802 -6.439 1.00 0.00 C ATOM 38 CD2 PHE A 4 15.879 -4.549 -6.938 1.00 0.00 C ATOM 39 CE1 PHE A 4 16.538 -1.831 -6.789 1.00 0.00 C ATOM 40 CE2 PHE A 4 14.932 -3.574 -7.286 1.00 0.00 C ATOM 41 CZ PHE A 4 15.262 -2.213 -7.214 1.00 0.00 C ATOM 0 H PHE A 4 21.032 -5.996 -6.265 1.00 0.00 H new ATOM 0 HA PHE A 4 18.672 -6.128 -7.973 1.00 0.00 H new ATOM 0 HB2 PHE A 4 17.596 -6.128 -5.787 1.00 0.00 H new ATOM 0 HB3 PHE A 4 18.681 -4.884 -5.197 1.00 0.00 H new ATOM 0 HD1 PHE A 4 18.471 -2.501 -6.120 1.00 0.00 H new ATOM 0 HD2 PHE A 4 15.624 -5.596 -7.007 1.00 0.00 H new ATOM 0 HE1 PHE A 4 16.795 -0.784 -6.730 1.00 0.00 H new ATOM 0 HE2 PHE A 4 13.946 -3.873 -7.610 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.534 -1.463 -7.486 1.00 0.00 H new ATOM 51 N GLU A 5 20.817 -3.934 -6.776 1.00 0.00 N ATOM 52 CA GLU A 5 21.660 -2.794 -7.012 1.00 0.00 C ATOM 53 C GLU A 5 22.414 -2.877 -8.329 1.00 0.00 C ATOM 54 O GLU A 5 22.516 -1.874 -9.024 1.00 0.00 O ATOM 55 CB GLU A 5 22.687 -2.779 -5.898 1.00 0.00 C ATOM 56 CG GLU A 5 22.026 -2.551 -4.541 1.00 0.00 C ATOM 57 CD GLU A 5 23.067 -2.494 -3.423 1.00 0.00 C ATOM 58 OE1 GLU A 5 23.406 -3.573 -2.891 1.00 0.00 O ATOM 59 OE2 GLU A 5 23.517 -1.368 -3.109 1.00 0.00 O ATOM 0 H GLU A 5 20.998 -4.383 -5.878 1.00 0.00 H new ATOM 0 HA GLU A 5 21.035 -1.902 -7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 5 23.229 -3.724 -5.887 1.00 0.00 H new ATOM 0 HB3 GLU A 5 23.419 -1.994 -6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 5 21.459 -1.620 -4.561 1.00 0.00 H new ATOM 0 HG3 GLU A 5 21.316 -3.353 -4.340 1.00 0.00 H new ATOM 66 N LYS A 6 22.945 -4.046 -8.695 1.00 0.00 N ATOM 67 CA LYS A 6 23.781 -4.137 -9.861 1.00 0.00 C ATOM 68 C LYS A 6 22.928 -4.137 -11.114 1.00 0.00 C ATOM 69 O LYS A 6 23.270 -3.508 -12.106 1.00 0.00 O ATOM 70 CB LYS A 6 24.542 -5.436 -9.733 1.00 0.00 C ATOM 71 CG LYS A 6 25.650 -5.593 -10.757 1.00 0.00 C ATOM 72 CD LYS A 6 26.679 -4.464 -10.655 1.00 0.00 C ATOM 73 CE LYS A 6 26.410 -3.371 -11.689 1.00 0.00 C ATOM 74 NZ LYS A 6 27.432 -2.313 -11.629 1.00 0.00 N ATOM 0 H LYS A 6 22.804 -4.925 -8.197 1.00 0.00 H new ATOM 0 HA LYS A 6 24.463 -3.290 -9.935 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.971 -5.499 -8.733 1.00 0.00 H new ATOM 0 HB3 LYS A 6 23.845 -6.268 -9.834 1.00 0.00 H new ATOM 0 HG2 LYS A 6 26.147 -6.552 -10.612 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.221 -5.605 -11.759 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.652 -4.034 -9.654 1.00 0.00 H new ATOM 0 HD3 LYS A 6 27.681 -4.868 -10.802 1.00 0.00 H new ATOM 0 HE2 LYS A 6 26.395 -3.808 -12.687 1.00 0.00 H new ATOM 0 HE3 LYS A 6 25.425 -2.938 -11.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 27.517 -1.859 -12.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.155 -1.602 -10.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 28.347 -2.729 -11.362 1.00 0.00 H new ATOM 88 N GLN A 7 21.808 -4.855 -11.041 1.00 0.00 N ATOM 89 CA GLN A 7 20.813 -4.909 -12.084 1.00 0.00 C ATOM 90 C GLN A 7 20.256 -3.510 -12.318 1.00 0.00 C ATOM 91 O GLN A 7 19.694 -3.223 -13.373 1.00 0.00 O ATOM 92 CB GLN A 7 19.722 -5.854 -11.594 1.00 0.00 C ATOM 93 CG GLN A 7 20.324 -7.232 -11.318 1.00 0.00 C ATOM 94 CD GLN A 7 20.540 -7.995 -12.614 1.00 0.00 C ATOM 95 OE1 GLN A 7 21.663 -8.155 -13.079 1.00 0.00 O ATOM 96 NE2 GLN A 7 19.448 -8.471 -13.202 1.00 0.00 N ATOM 0 H GLN A 7 21.572 -5.426 -10.229 1.00 0.00 H new ATOM 0 HA GLN A 7 21.228 -5.264 -13.027 1.00 0.00 H new ATOM 0 HB2 GLN A 7 19.264 -5.458 -10.688 1.00 0.00 H new ATOM 0 HB3 GLN A 7 18.933 -5.934 -12.342 1.00 0.00 H new ATOM 0 HG2 GLN A 7 21.273 -7.121 -10.793 1.00 0.00 H new ATOM 0 HG3 GLN A 7 19.662 -7.799 -10.663 1.00 0.00 H new ATOM 0 HE21 GLN A 7 18.532 -8.315 -12.780 1.00 0.00 H new ATOM 0 HE22 GLN A 7 19.525 -8.993 -14.075 1.00 0.00 H new ATOM 105 N LYS A 8 20.421 -2.639 -11.312 1.00 0.00 N ATOM 106 CA LYS A 8 19.968 -1.266 -11.348 1.00 0.00 C ATOM 107 C LYS A 8 21.063 -0.357 -11.888 1.00 0.00 C ATOM 108 O LYS A 8 20.852 0.264 -12.928 1.00 0.00 O ATOM 109 CB LYS A 8 19.558 -0.903 -9.928 1.00 0.00 C ATOM 110 CG LYS A 8 19.021 0.516 -9.833 1.00 0.00 C ATOM 111 CD LYS A 8 18.355 0.639 -8.468 1.00 0.00 C ATOM 112 CE LYS A 8 19.330 0.347 -7.324 1.00 0.00 C ATOM 113 NZ LYS A 8 20.388 1.369 -7.232 1.00 0.00 N ATOM 0 H LYS A 8 20.884 -2.888 -10.438 1.00 0.00 H new ATOM 0 HA LYS A 8 19.119 -1.140 -12.019 1.00 0.00 H new ATOM 0 HB2 LYS A 8 18.797 -1.602 -9.581 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.416 -1.011 -9.265 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.826 1.243 -9.938 1.00 0.00 H new ATOM 0 HG3 LYS A 8 18.307 0.714 -10.632 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.951 1.644 -8.352 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.513 -0.052 -8.412 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.783 0.304 -6.382 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.783 -0.633 -7.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 20.988 1.174 -6.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 20.969 1.346 -8.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 19.955 2.309 -7.131 1.00 0.00 H new ATOM 127 N GLU A 9 22.220 -0.261 -11.224 1.00 0.00 N ATOM 128 CA GLU A 9 23.251 0.654 -11.693 1.00 0.00 C ATOM 129 C GLU A 9 23.969 0.159 -12.955 1.00 0.00 C ATOM 130 O GLU A 9 24.717 0.932 -13.553 1.00 0.00 O ATOM 131 CB GLU A 9 24.235 1.109 -10.616 1.00 0.00 C ATOM 132 CG GLU A 9 24.903 -0.054 -9.916 1.00 0.00 C ATOM 133 CD GLU A 9 26.262 0.331 -9.333 1.00 0.00 C ATOM 134 OE1 GLU A 9 26.307 1.301 -8.543 1.00 0.00 O ATOM 135 OE2 GLU A 9 27.246 -0.355 -9.690 1.00 0.00 O ATOM 0 H GLU A 9 22.457 -0.791 -10.385 1.00 0.00 H new ATOM 0 HA GLU A 9 22.697 1.550 -11.973 1.00 0.00 H new ATOM 0 HB2 GLU A 9 24.997 1.743 -11.069 1.00 0.00 H new ATOM 0 HB3 GLU A 9 23.709 1.718 -9.881 1.00 0.00 H new ATOM 0 HG2 GLU A 9 24.256 -0.416 -9.117 1.00 0.00 H new ATOM 0 HG3 GLU A 9 25.031 -0.876 -10.620 1.00 0.00 H new ATOM 142 N GLN A 10 23.768 -1.093 -13.379 1.00 0.00 N ATOM 143 CA GLN A 10 24.230 -1.506 -14.700 1.00 0.00 C ATOM 144 C GLN A 10 23.455 -0.784 -15.808 1.00 0.00 C ATOM 145 O GLN A 10 24.043 -0.035 -16.585 1.00 0.00 O ATOM 146 CB GLN A 10 24.053 -3.018 -14.869 1.00 0.00 C ATOM 147 CG GLN A 10 24.625 -3.461 -16.215 1.00 0.00 C ATOM 148 CD GLN A 10 24.085 -4.823 -16.620 1.00 0.00 C ATOM 149 OE1 GLN A 10 24.450 -5.849 -16.053 1.00 0.00 O ATOM 150 NE2 GLN A 10 23.204 -4.836 -17.612 1.00 0.00 N ATOM 0 H GLN A 10 23.299 -1.820 -12.838 1.00 0.00 H new ATOM 0 HA GLN A 10 25.285 -1.244 -14.781 1.00 0.00 H new ATOM 0 HB2 GLN A 10 24.557 -3.545 -14.059 1.00 0.00 H new ATOM 0 HB3 GLN A 10 22.996 -3.278 -14.810 1.00 0.00 H new ATOM 0 HG2 GLN A 10 24.374 -2.726 -16.979 1.00 0.00 H new ATOM 0 HG3 GLN A 10 25.713 -3.501 -16.156 1.00 0.00 H new ATOM 0 HE21 GLN A 10 22.926 -3.962 -18.058 1.00 0.00 H new ATOM 0 HE22 GLN A 10 22.805 -5.720 -17.928 1.00 0.00 H new ATOM 159 N GLY A 11 22.136 -1.002 -15.884 1.00 0.00 N ATOM 160 CA GLY A 11 21.313 -0.416 -16.936 1.00 0.00 C ATOM 161 C GLY A 11 21.187 1.092 -16.747 1.00 0.00 C ATOM 162 O GLY A 11 20.913 1.828 -17.692 1.00 0.00 O ATOM 0 H GLY A 11 21.619 -1.583 -15.224 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.753 -0.630 -17.910 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.323 -0.872 -16.927 1.00 0.00 H new ATOM 166 N ASN A 12 21.392 1.542 -15.508 1.00 0.00 N ATOM 167 CA ASN A 12 21.425 2.938 -15.100 1.00 0.00 C ATOM 168 C ASN A 12 22.319 3.766 -16.000 1.00 0.00 C ATOM 169 O ASN A 12 22.019 4.936 -16.195 1.00 0.00 O ATOM 170 CB ASN A 12 21.960 2.905 -13.678 1.00 0.00 C ATOM 171 CG ASN A 12 22.570 4.143 -13.051 1.00 0.00 C ATOM 172 OD1 ASN A 12 22.165 5.277 -13.284 1.00 0.00 O ATOM 173 ND2 ASN A 12 23.583 3.872 -12.226 1.00 0.00 N ATOM 0 H ASN A 12 21.547 0.906 -14.726 1.00 0.00 H new ATOM 0 HA ASN A 12 20.441 3.403 -15.165 1.00 0.00 H new ATOM 0 HB2 ASN A 12 21.139 2.591 -13.034 1.00 0.00 H new ATOM 0 HB3 ASN A 12 22.715 2.120 -13.638 1.00 0.00 H new ATOM 0 HD21 ASN A 12 24.068 4.631 -11.747 1.00 0.00 H new ATOM 0 HD22 ASN A 12 23.873 2.906 -12.074 1.00 0.00 H new ATOM 180 N SER A 13 23.394 3.189 -16.549 1.00 0.00 N ATOM 181 CA SER A 13 24.250 3.924 -17.469 1.00 0.00 C ATOM 182 C SER A 13 23.813 3.694 -18.911 1.00 0.00 C ATOM 183 O SER A 13 23.872 4.615 -19.720 1.00 0.00 O ATOM 184 CB SER A 13 25.699 3.495 -17.264 1.00 0.00 C ATOM 185 OG SER A 13 26.537 4.141 -18.201 1.00 0.00 O ATOM 0 H SER A 13 23.684 2.227 -16.371 1.00 0.00 H new ATOM 0 HA SER A 13 24.164 4.991 -17.264 1.00 0.00 H new ATOM 0 HB2 SER A 13 26.018 3.739 -16.251 1.00 0.00 H new ATOM 0 HB3 SER A 13 25.785 2.414 -17.373 1.00 0.00 H new ATOM 0 HG SER A 13 27.465 3.859 -18.059 1.00 0.00 H new ATOM 191 N LEU A 14 23.369 2.482 -19.250 1.00 0.00 N ATOM 192 CA LEU A 14 22.892 2.148 -20.586 1.00 0.00 C ATOM 193 C LEU A 14 21.740 3.057 -21.015 1.00 0.00 C ATOM 194 O LEU A 14 21.600 3.376 -22.194 1.00 0.00 O ATOM 195 CB LEU A 14 22.482 0.687 -20.541 1.00 0.00 C ATOM 196 CG LEU A 14 23.693 -0.199 -20.211 1.00 0.00 C ATOM 197 CD1 LEU A 14 23.515 -1.448 -21.037 1.00 0.00 C ATOM 198 CD2 LEU A 14 25.070 0.349 -20.601 1.00 0.00 C ATOM 0 H LEU A 14 23.332 1.700 -18.596 1.00 0.00 H new ATOM 0 HA LEU A 14 23.672 2.303 -21.332 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.704 0.544 -19.791 1.00 0.00 H new ATOM 0 HB3 LEU A 14 22.058 0.392 -21.501 1.00 0.00 H new ATOM 0 HG LEU A 14 23.701 -0.312 -19.127 1.00 0.00 H new ATOM 0 HD11 LEU A 14 24.346 -2.128 -20.851 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.579 -1.935 -20.763 1.00 0.00 H new ATOM 0 HD13 LEU A 14 23.491 -1.185 -22.094 1.00 0.00 H new ATOM 0 HD21 LEU A 14 25.841 -0.367 -20.316 1.00 0.00 H new ATOM 0 HD22 LEU A 14 25.105 0.511 -21.678 1.00 0.00 H new ATOM 0 HD23 LEU A 14 25.245 1.294 -20.086 1.00 0.00 H new ATOM 210 N PHE A 15 20.917 3.480 -20.055 1.00 0.00 N ATOM 211 CA PHE A 15 19.809 4.390 -20.294 1.00 0.00 C ATOM 212 C PHE A 15 20.313 5.786 -20.625 1.00 0.00 C ATOM 213 O PHE A 15 19.635 6.546 -21.312 1.00 0.00 O ATOM 214 CB PHE A 15 18.968 4.422 -19.020 1.00 0.00 C ATOM 215 CG PHE A 15 18.192 5.693 -18.770 1.00 0.00 C ATOM 216 CD1 PHE A 15 16.999 5.958 -19.462 1.00 0.00 C ATOM 217 CD2 PHE A 15 18.665 6.604 -17.816 1.00 0.00 C ATOM 218 CE1 PHE A 15 16.268 7.121 -19.181 1.00 0.00 C ATOM 219 CE2 PHE A 15 17.902 7.730 -17.488 1.00 0.00 C ATOM 220 CZ PHE A 15 16.716 8.000 -18.179 1.00 0.00 C ATOM 0 H PHE A 15 21.007 3.194 -19.080 1.00 0.00 H new ATOM 0 HA PHE A 15 19.218 4.049 -21.144 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.264 3.591 -19.052 1.00 0.00 H new ATOM 0 HB3 PHE A 15 19.627 4.249 -18.169 1.00 0.00 H new ATOM 0 HD1 PHE A 15 16.644 5.266 -20.211 1.00 0.00 H new ATOM 0 HD2 PHE A 15 19.617 6.437 -17.335 1.00 0.00 H new ATOM 0 HE1 PHE A 15 15.365 7.341 -19.731 1.00 0.00 H new ATOM 0 HE2 PHE A 15 18.229 8.392 -16.700 1.00 0.00 H new ATOM 0 HZ PHE A 15 16.144 8.885 -17.943 1.00 0.00 H new ATOM 230 N LYS A 16 21.503 6.138 -20.140 1.00 0.00 N ATOM 231 CA LYS A 16 22.056 7.466 -20.335 1.00 0.00 C ATOM 232 C LYS A 16 22.866 7.565 -21.631 1.00 0.00 C ATOM 233 O LYS A 16 23.351 8.643 -21.967 1.00 0.00 O ATOM 234 CB LYS A 16 22.958 7.814 -19.150 1.00 0.00 C ATOM 235 CG LYS A 16 22.363 7.310 -17.843 1.00 0.00 C ATOM 236 CD LYS A 16 23.281 7.610 -16.658 1.00 0.00 C ATOM 237 CE LYS A 16 23.086 9.059 -16.213 1.00 0.00 C ATOM 238 NZ LYS A 16 23.902 9.366 -15.025 1.00 0.00 N ATOM 0 H LYS A 16 22.103 5.511 -19.605 1.00 0.00 H new ATOM 0 HA LYS A 16 21.225 8.168 -20.406 1.00 0.00 H new ATOM 0 HB2 LYS A 16 23.944 7.374 -19.298 1.00 0.00 H new ATOM 0 HB3 LYS A 16 23.095 8.894 -19.098 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.392 7.777 -17.680 1.00 0.00 H new ATOM 0 HG3 LYS A 16 22.193 6.235 -17.910 1.00 0.00 H new ATOM 0 HD2 LYS A 16 23.060 6.933 -15.833 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.321 7.442 -16.939 1.00 0.00 H new ATOM 0 HE2 LYS A 16 23.356 9.732 -17.027 1.00 0.00 H new ATOM 0 HE3 LYS A 16 22.034 9.235 -15.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 23.310 9.831 -14.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 24.292 8.484 -14.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 24.682 10.000 -15.294 1.00 0.00 H new ATOM 252 N GLN A 17 23.018 6.451 -22.358 1.00 0.00 N ATOM 253 CA GLN A 17 23.873 6.359 -23.529 1.00 0.00 C ATOM 254 C GLN A 17 23.097 6.385 -24.840 1.00 0.00 C ATOM 255 O GLN A 17 23.694 6.635 -25.886 1.00 0.00 O ATOM 256 CB GLN A 17 24.655 5.047 -23.451 1.00 0.00 C ATOM 257 CG GLN A 17 25.764 5.155 -22.408 1.00 0.00 C ATOM 258 CD GLN A 17 26.740 3.989 -22.519 1.00 0.00 C ATOM 259 OE1 GLN A 17 27.930 4.184 -22.749 1.00 0.00 O ATOM 260 NE2 GLN A 17 26.240 2.769 -22.358 1.00 0.00 N ATOM 0 H GLN A 17 22.538 5.578 -22.138 1.00 0.00 H new ATOM 0 HA GLN A 17 24.529 7.229 -23.525 1.00 0.00 H new ATOM 0 HB2 GLN A 17 23.982 4.229 -23.193 1.00 0.00 H new ATOM 0 HB3 GLN A 17 25.084 4.812 -24.425 1.00 0.00 H new ATOM 0 HG2 GLN A 17 26.300 6.095 -22.539 1.00 0.00 H new ATOM 0 HG3 GLN A 17 25.327 5.174 -21.409 1.00 0.00 H new ATOM 0 HE21 GLN A 17 25.245 2.646 -22.168 1.00 0.00 H new ATOM 0 HE22 GLN A 17 26.851 1.955 -22.424 1.00 0.00 H new ATOM 269 N GLY A 18 21.786 6.134 -24.805 1.00 0.00 N ATOM 270 CA GLY A 18 21.000 6.085 -26.030 1.00 0.00 C ATOM 271 C GLY A 18 20.143 4.848 -26.133 1.00 0.00 C ATOM 272 O GLY A 18 19.163 4.813 -26.876 1.00 0.00 O ATOM 0 H GLY A 18 21.256 5.964 -23.950 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.362 6.967 -26.081 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.671 6.127 -26.888 1.00 0.00 H new ATOM 276 N LEU A 19 20.532 3.830 -25.376 1.00 0.00 N ATOM 277 CA LEU A 19 20.003 2.502 -25.537 1.00 0.00 C ATOM 278 C LEU A 19 19.112 2.155 -24.366 1.00 0.00 C ATOM 279 O LEU A 19 19.364 1.254 -23.572 1.00 0.00 O ATOM 280 CB LEU A 19 21.137 1.535 -25.839 1.00 0.00 C ATOM 281 CG LEU A 19 22.496 1.788 -25.162 1.00 0.00 C ATOM 282 CD1 LEU A 19 22.599 0.938 -23.904 1.00 0.00 C ATOM 283 CD2 LEU A 19 23.636 1.374 -26.089 1.00 0.00 C ATOM 0 H LEU A 19 21.226 3.913 -24.633 1.00 0.00 H new ATOM 0 HA LEU A 19 19.344 2.429 -26.402 1.00 0.00 H new ATOM 0 HB2 LEU A 19 20.806 0.534 -25.562 1.00 0.00 H new ATOM 0 HB3 LEU A 19 21.296 1.531 -26.917 1.00 0.00 H new ATOM 0 HG LEU A 19 22.569 2.850 -24.927 1.00 0.00 H new ATOM 0 HD11 LEU A 19 23.561 1.115 -23.423 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.795 1.205 -23.218 1.00 0.00 H new ATOM 0 HD13 LEU A 19 22.515 -0.116 -24.169 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.591 1.559 -25.597 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.548 0.313 -26.323 1.00 0.00 H new ATOM 0 HD23 LEU A 19 23.585 1.954 -27.010 1.00 0.00 H new ATOM 295 N TYR A 20 18.040 2.940 -24.304 1.00 0.00 N ATOM 296 CA TYR A 20 17.020 2.891 -23.283 1.00 0.00 C ATOM 297 C TYR A 20 16.511 1.476 -23.086 1.00 0.00 C ATOM 298 O TYR A 20 16.229 1.091 -21.958 1.00 0.00 O ATOM 299 CB TYR A 20 15.910 3.822 -23.755 1.00 0.00 C ATOM 300 CG TYR A 20 16.467 5.152 -24.206 1.00 0.00 C ATOM 301 CD1 TYR A 20 17.313 5.879 -23.354 1.00 0.00 C ATOM 302 CD2 TYR A 20 16.162 5.641 -25.486 1.00 0.00 C ATOM 303 CE1 TYR A 20 17.869 7.095 -23.787 1.00 0.00 C ATOM 304 CE2 TYR A 20 16.714 6.854 -25.922 1.00 0.00 C ATOM 305 CZ TYR A 20 17.567 7.585 -25.074 1.00 0.00 C ATOM 306 OH TYR A 20 18.100 8.765 -25.499 1.00 0.00 O ATOM 0 H TYR A 20 17.858 3.660 -25.003 1.00 0.00 H new ATOM 0 HA TYR A 20 17.410 3.205 -22.315 1.00 0.00 H new ATOM 0 HB2 TYR A 20 15.365 3.356 -24.576 1.00 0.00 H new ATOM 0 HB3 TYR A 20 15.196 3.979 -22.947 1.00 0.00 H new ATOM 0 HD1 TYR A 20 17.537 5.504 -22.366 1.00 0.00 H new ATOM 0 HD2 TYR A 20 15.503 5.083 -26.135 1.00 0.00 H new ATOM 0 HE1 TYR A 20 18.526 7.653 -23.136 1.00 0.00 H new ATOM 0 HE2 TYR A 20 16.485 7.228 -26.909 1.00 0.00 H new ATOM 0 HH TYR A 20 17.790 8.955 -26.409 1.00 0.00 H new ATOM 316 N ARG A 21 16.390 0.688 -24.160 1.00 0.00 N ATOM 317 CA ARG A 21 15.851 -0.657 -24.063 1.00 0.00 C ATOM 318 C ARG A 21 16.889 -1.574 -23.440 1.00 0.00 C ATOM 319 O ARG A 21 16.557 -2.430 -22.622 1.00 0.00 O ATOM 320 CB ARG A 21 15.542 -1.133 -25.479 1.00 0.00 C ATOM 321 CG ARG A 21 14.375 -2.107 -25.521 1.00 0.00 C ATOM 322 CD ARG A 21 14.390 -3.123 -24.377 1.00 0.00 C ATOM 323 NE ARG A 21 13.365 -4.159 -24.567 1.00 0.00 N ATOM 324 CZ ARG A 21 12.058 -3.984 -24.354 1.00 0.00 C ATOM 325 NH1 ARG A 21 11.577 -2.814 -23.935 1.00 0.00 N ATOM 326 NH2 ARG A 21 11.215 -4.992 -24.563 1.00 0.00 N ATOM 0 H ARG A 21 16.661 0.966 -25.103 1.00 0.00 H new ATOM 0 HA ARG A 21 14.952 -0.668 -23.446 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.316 -0.272 -26.108 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.426 -1.611 -25.900 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.441 -1.546 -25.486 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.391 -2.641 -26.471 1.00 0.00 H new ATOM 0 HD2 ARG A 21 15.373 -3.589 -24.315 1.00 0.00 H new ATOM 0 HD3 ARG A 21 14.220 -2.610 -23.430 1.00 0.00 H new ATOM 0 HE ARG A 21 13.674 -5.078 -24.884 1.00 0.00 H new ATOM 0 HH11 ARG A 21 12.210 -2.031 -23.771 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.575 -2.701 -23.778 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.568 -5.893 -24.884 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.216 -4.863 -24.402 1.00 0.00 H new ATOM 340 N GLU A 22 18.152 -1.389 -23.826 1.00 0.00 N ATOM 341 CA GLU A 22 19.243 -2.160 -23.263 1.00 0.00 C ATOM 342 C GLU A 22 19.430 -1.780 -21.797 1.00 0.00 C ATOM 343 O GLU A 22 20.225 -2.389 -21.086 1.00 0.00 O ATOM 344 CB GLU A 22 20.534 -1.899 -24.036 1.00 0.00 C ATOM 345 CG GLU A 22 20.372 -2.281 -25.507 1.00 0.00 C ATOM 346 CD GLU A 22 21.673 -2.121 -26.287 1.00 0.00 C ATOM 347 OE1 GLU A 22 22.711 -2.629 -25.799 1.00 0.00 O ATOM 348 OE2 GLU A 22 21.627 -1.488 -27.365 1.00 0.00 O ATOM 0 H GLU A 22 18.438 -0.708 -24.529 1.00 0.00 H new ATOM 0 HA GLU A 22 19.003 -3.221 -23.337 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.804 -0.846 -23.957 1.00 0.00 H new ATOM 0 HB3 GLU A 22 21.350 -2.472 -23.595 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.032 -3.314 -25.578 1.00 0.00 H new ATOM 0 HG3 GLU A 22 19.599 -1.660 -25.960 1.00 0.00 H new ATOM 355 N ALA A 23 18.690 -0.768 -21.340 1.00 0.00 N ATOM 356 CA ALA A 23 18.657 -0.411 -19.943 1.00 0.00 C ATOM 357 C ALA A 23 17.487 -1.141 -19.268 1.00 0.00 C ATOM 358 O ALA A 23 17.668 -1.758 -18.221 1.00 0.00 O ATOM 359 CB ALA A 23 18.495 1.105 -19.835 1.00 0.00 C ATOM 0 H ALA A 23 18.103 -0.183 -21.935 1.00 0.00 H new ATOM 0 HA ALA A 23 19.580 -0.705 -19.443 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.468 1.394 -18.784 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.335 1.597 -20.325 1.00 0.00 H new ATOM 0 HB3 ALA A 23 17.566 1.407 -20.318 1.00 0.00 H new ATOM 365 N VAL A 24 16.285 -1.084 -19.864 1.00 0.00 N ATOM 366 CA VAL A 24 15.090 -1.677 -19.313 1.00 0.00 C ATOM 367 C VAL A 24 15.161 -3.181 -19.252 1.00 0.00 C ATOM 368 O VAL A 24 14.673 -3.801 -18.314 1.00 0.00 O ATOM 369 CB VAL A 24 13.841 -1.294 -20.104 1.00 0.00 C ATOM 370 CG1 VAL A 24 13.915 0.012 -20.857 1.00 0.00 C ATOM 371 CG2 VAL A 24 13.165 -2.409 -20.878 1.00 0.00 C ATOM 0 H VAL A 24 16.131 -0.614 -20.756 1.00 0.00 H new ATOM 0 HA VAL A 24 15.023 -1.280 -18.300 1.00 0.00 H new ATOM 0 HB VAL A 24 13.144 -1.094 -19.290 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.975 0.183 -21.382 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.092 0.827 -20.155 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.731 -0.030 -21.578 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.292 -2.014 -21.398 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.864 -2.823 -21.605 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.853 -3.193 -20.188 1.00 0.00 H new ATOM 381 N HIS A 25 15.775 -3.767 -20.269 1.00 0.00 N ATOM 382 CA HIS A 25 15.865 -5.206 -20.361 1.00 0.00 C ATOM 383 C HIS A 25 16.751 -5.811 -19.265 1.00 0.00 C ATOM 384 O HIS A 25 16.976 -7.017 -19.240 1.00 0.00 O ATOM 385 CB HIS A 25 16.238 -5.605 -21.788 1.00 0.00 C ATOM 386 CG HIS A 25 17.705 -5.595 -22.113 1.00 0.00 C ATOM 387 ND1 HIS A 25 18.314 -6.430 -23.049 1.00 0.00 N ATOM 388 CD2 HIS A 25 18.643 -4.777 -21.560 1.00 0.00 C ATOM 389 CE1 HIS A 25 19.611 -6.090 -23.037 1.00 0.00 C ATOM 390 NE2 HIS A 25 19.843 -5.116 -22.143 1.00 0.00 N ATOM 0 H HIS A 25 16.216 -3.264 -21.039 1.00 0.00 H new ATOM 0 HA HIS A 25 14.887 -5.644 -20.161 1.00 0.00 H new ATOM 0 HB2 HIS A 25 15.851 -6.606 -21.977 1.00 0.00 H new ATOM 0 HB3 HIS A 25 15.729 -4.931 -22.477 1.00 0.00 H new ATOM 0 HD2 HIS A 25 18.478 -4.015 -20.813 1.00 0.00 H new ATOM 0 HE1 HIS A 25 20.368 -6.540 -23.663 1.00 0.00 H new ATOM 0 HE2 HIS A 25 20.750 -4.700 -21.932 1.00 0.00 H new ATOM 398 N CYS A 26 17.246 -4.961 -18.354 1.00 0.00 N ATOM 399 CA CYS A 26 17.951 -5.371 -17.144 1.00 0.00 C ATOM 400 C CYS A 26 17.257 -4.753 -15.923 1.00 0.00 C ATOM 401 O CYS A 26 17.338 -5.287 -14.819 1.00 0.00 O ATOM 402 CB CYS A 26 19.418 -4.946 -17.231 1.00 0.00 C ATOM 403 SG CYS A 26 20.220 -5.838 -18.589 1.00 0.00 S ATOM 0 H CYS A 26 17.162 -3.949 -18.445 1.00 0.00 H new ATOM 0 HA CYS A 26 17.924 -6.456 -17.042 1.00 0.00 H new ATOM 0 HB2 CYS A 26 19.488 -3.871 -17.395 1.00 0.00 H new ATOM 0 HB3 CYS A 26 19.927 -5.158 -16.291 1.00 0.00 H new ATOM 0 HG CYS A 26 21.022 -5.034 -19.222 1.00 0.00 H new ATOM 409 N TYR A 27 16.570 -3.625 -16.128 1.00 0.00 N ATOM 410 CA TYR A 27 15.668 -3.022 -15.155 1.00 0.00 C ATOM 411 C TYR A 27 14.512 -3.968 -14.868 1.00 0.00 C ATOM 412 O TYR A 27 13.996 -3.998 -13.759 1.00 0.00 O ATOM 413 CB TYR A 27 15.067 -1.777 -15.804 1.00 0.00 C ATOM 414 CG TYR A 27 15.970 -0.586 -16.011 1.00 0.00 C ATOM 415 CD1 TYR A 27 17.243 -0.514 -15.425 1.00 0.00 C ATOM 416 CD2 TYR A 27 15.500 0.472 -16.798 1.00 0.00 C ATOM 417 CE1 TYR A 27 18.032 0.627 -15.613 1.00 0.00 C ATOM 418 CE2 TYR A 27 16.272 1.621 -16.987 1.00 0.00 C ATOM 419 CZ TYR A 27 17.548 1.697 -16.395 1.00 0.00 C ATOM 420 OH TYR A 27 18.312 2.806 -16.576 1.00 0.00 O ATOM 0 H TYR A 27 16.631 -3.097 -16.998 1.00 0.00 H new ATOM 0 HA TYR A 27 16.211 -2.798 -14.237 1.00 0.00 H new ATOM 0 HB2 TYR A 27 14.666 -2.066 -16.775 1.00 0.00 H new ATOM 0 HB3 TYR A 27 14.223 -1.455 -15.194 1.00 0.00 H new ATOM 0 HD1 TYR A 27 17.613 -1.336 -14.831 1.00 0.00 H new ATOM 0 HD2 TYR A 27 14.529 0.399 -17.265 1.00 0.00 H new ATOM 0 HE1 TYR A 27 19.010 0.688 -15.160 1.00 0.00 H new ATOM 0 HE2 TYR A 27 15.895 2.441 -17.580 1.00 0.00 H new ATOM 0 HH TYR A 27 19.152 2.557 -17.015 1.00 0.00 H new ATOM 430 N ASP A 28 14.105 -4.743 -15.877 1.00 0.00 N ATOM 431 CA ASP A 28 12.985 -5.654 -15.778 1.00 0.00 C ATOM 432 C ASP A 28 13.220 -6.686 -14.682 1.00 0.00 C ATOM 433 O ASP A 28 12.265 -7.214 -14.111 1.00 0.00 O ATOM 434 CB ASP A 28 12.775 -6.310 -17.143 1.00 0.00 C ATOM 435 CG ASP A 28 11.463 -7.087 -17.186 1.00 0.00 C ATOM 436 OD1 ASP A 28 10.407 -6.416 -17.209 1.00 0.00 O ATOM 437 OD2 ASP A 28 11.529 -8.337 -17.195 1.00 0.00 O ATOM 0 H ASP A 28 14.556 -4.748 -16.792 1.00 0.00 H new ATOM 0 HA ASP A 28 12.082 -5.110 -15.502 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.774 -5.546 -17.920 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.606 -6.982 -17.358 1.00 0.00 H new ATOM 442 N GLN A 29 14.488 -6.983 -14.366 1.00 0.00 N ATOM 443 CA GLN A 29 14.788 -7.892 -13.277 1.00 0.00 C ATOM 444 C GLN A 29 14.668 -7.224 -11.908 1.00 0.00 C ATOM 445 O GLN A 29 14.578 -7.929 -10.907 1.00 0.00 O ATOM 446 CB GLN A 29 16.177 -8.499 -13.442 1.00 0.00 C ATOM 447 CG GLN A 29 16.222 -9.436 -14.647 1.00 0.00 C ATOM 448 CD GLN A 29 16.813 -8.771 -15.883 1.00 0.00 C ATOM 449 OE1 GLN A 29 18.004 -8.476 -15.918 1.00 0.00 O ATOM 450 NE2 GLN A 29 15.993 -8.531 -16.899 1.00 0.00 N ATOM 0 H GLN A 29 15.305 -6.608 -14.848 1.00 0.00 H new ATOM 0 HA GLN A 29 14.042 -8.686 -13.321 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.913 -7.705 -13.566 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.448 -9.047 -12.540 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.812 -10.317 -14.396 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.213 -9.782 -14.872 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.009 -8.791 -16.832 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.347 -8.087 -17.746 1.00 0.00 H new ATOM 459 N LEU A 30 14.658 -5.888 -11.836 1.00 0.00 N ATOM 460 CA LEU A 30 14.406 -5.191 -10.581 1.00 0.00 C ATOM 461 C LEU A 30 12.983 -5.494 -10.144 1.00 0.00 C ATOM 462 O LEU A 30 12.709 -5.632 -8.954 1.00 0.00 O ATOM 463 CB LEU A 30 14.547 -3.683 -10.780 1.00 0.00 C ATOM 464 CG LEU A 30 15.913 -3.277 -11.312 1.00 0.00 C ATOM 465 CD1 LEU A 30 16.091 -1.766 -11.228 1.00 0.00 C ATOM 466 CD2 LEU A 30 17.043 -3.951 -10.536 1.00 0.00 C ATOM 0 H LEU A 30 14.822 -5.274 -12.634 1.00 0.00 H new ATOM 0 HA LEU A 30 15.123 -5.522 -9.830 1.00 0.00 H new ATOM 0 HB2 LEU A 30 13.778 -3.340 -11.472 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.369 -3.179 -9.830 1.00 0.00 H new ATOM 0 HG LEU A 30 15.960 -3.600 -12.352 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.074 -1.493 -11.613 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.320 -1.275 -11.822 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.007 -1.447 -10.189 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.003 -3.637 -10.945 1.00 0.00 H new ATOM 0 HD22 LEU A 30 16.985 -3.665 -9.486 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.949 -5.033 -10.623 1.00 0.00 H new ATOM 478 N ILE A 31 12.073 -5.601 -11.117 1.00 0.00 N ATOM 479 CA ILE A 31 10.692 -5.910 -10.818 1.00 0.00 C ATOM 480 C ILE A 31 10.542 -7.399 -10.552 1.00 0.00 C ATOM 481 O ILE A 31 9.770 -7.798 -9.696 1.00 0.00 O ATOM 482 CB ILE A 31 9.782 -5.489 -11.976 1.00 0.00 C ATOM 483 CG1 ILE A 31 10.004 -4.043 -12.412 1.00 0.00 C ATOM 484 CG2 ILE A 31 8.374 -5.569 -11.432 1.00 0.00 C ATOM 485 CD1 ILE A 31 10.780 -3.989 -13.718 1.00 0.00 C ATOM 0 H ILE A 31 12.276 -5.477 -12.109 1.00 0.00 H new ATOM 0 HA ILE A 31 10.396 -5.355 -9.928 1.00 0.00 H new ATOM 0 HB ILE A 31 9.981 -6.130 -12.835 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.043 -3.543 -12.533 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.549 -3.504 -11.637 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.667 -5.280 -12.209 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.165 -6.590 -11.112 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.274 -4.895 -10.581 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.927 -2.949 -14.011 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.749 -4.470 -13.585 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.220 -4.509 -14.495 1.00 0.00 H new ATOM 497 N THR A 32 11.259 -8.257 -11.262 1.00 0.00 N ATOM 498 CA THR A 32 11.127 -9.681 -10.997 1.00 0.00 C ATOM 499 C THR A 32 11.811 -10.067 -9.686 1.00 0.00 C ATOM 500 O THR A 32 11.421 -11.051 -9.060 1.00 0.00 O ATOM 501 CB THR A 32 11.761 -10.427 -12.169 1.00 0.00 C ATOM 502 OG1 THR A 32 10.973 -10.256 -13.324 1.00 0.00 O ATOM 503 CG2 THR A 32 11.956 -11.919 -11.917 1.00 0.00 C ATOM 0 H THR A 32 11.916 -8.005 -12.001 1.00 0.00 H new ATOM 0 HA THR A 32 10.074 -9.944 -10.896 1.00 0.00 H new ATOM 0 HB THR A 32 12.753 -9.996 -12.301 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.384 -10.735 -14.074 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.411 -12.380 -12.794 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.607 -12.060 -11.054 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.990 -12.385 -11.723 1.00 0.00 H new ATOM 511 N ALA A 33 12.825 -9.310 -9.257 1.00 0.00 N ATOM 512 CA ALA A 33 13.497 -9.590 -8.000 1.00 0.00 C ATOM 513 C ALA A 33 12.755 -8.919 -6.849 1.00 0.00 C ATOM 514 O ALA A 33 12.799 -9.391 -5.714 1.00 0.00 O ATOM 515 CB ALA A 33 14.930 -9.060 -8.055 1.00 0.00 C ATOM 0 H ALA A 33 13.192 -8.504 -9.764 1.00 0.00 H new ATOM 0 HA ALA A 33 13.510 -10.668 -7.839 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.432 -9.271 -7.111 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.467 -9.547 -8.869 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.913 -7.983 -8.224 1.00 0.00 H new ATOM 521 N GLN A 34 12.076 -7.812 -7.152 1.00 0.00 N ATOM 522 CA GLN A 34 11.309 -7.047 -6.194 1.00 0.00 C ATOM 523 C GLN A 34 10.083 -6.458 -6.881 1.00 0.00 C ATOM 524 O GLN A 34 9.994 -5.264 -7.146 1.00 0.00 O ATOM 525 CB GLN A 34 12.242 -5.971 -5.677 1.00 0.00 C ATOM 526 CG GLN A 34 12.082 -5.638 -4.198 1.00 0.00 C ATOM 527 CD GLN A 34 13.197 -4.656 -3.869 1.00 0.00 C ATOM 528 OE1 GLN A 34 12.995 -3.642 -3.209 1.00 0.00 O ATOM 529 NE2 GLN A 34 14.397 -4.973 -4.351 1.00 0.00 N ATOM 0 H GLN A 34 12.050 -7.422 -8.094 1.00 0.00 H new ATOM 0 HA GLN A 34 10.943 -7.655 -5.367 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.270 -6.287 -5.854 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.083 -5.063 -6.258 1.00 0.00 H new ATOM 0 HG2 GLN A 34 11.104 -5.199 -4.000 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.159 -6.536 -3.585 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.519 -5.827 -4.895 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.195 -4.362 -4.176 1.00 0.00 H new ATOM 538 N PRO A 35 9.117 -7.322 -7.178 1.00 0.00 N ATOM 539 CA PRO A 35 7.922 -6.979 -7.932 1.00 0.00 C ATOM 540 C PRO A 35 7.023 -6.066 -7.133 1.00 0.00 C ATOM 541 O PRO A 35 6.047 -5.515 -7.634 1.00 0.00 O ATOM 542 CB PRO A 35 7.287 -8.314 -8.280 1.00 0.00 C ATOM 543 CG PRO A 35 7.983 -9.371 -7.428 1.00 0.00 C ATOM 544 CD PRO A 35 9.168 -8.703 -6.774 1.00 0.00 C ATOM 0 HA PRO A 35 8.134 -6.413 -8.839 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.216 -8.297 -8.076 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.406 -8.533 -9.341 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.302 -9.770 -6.676 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.305 -10.211 -8.043 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.118 -8.794 -5.689 1.00 0.00 H new ATOM 0 HD3 PRO A 35 10.102 -9.168 -7.090 1.00 0.00 H new ATOM 552 N GLN A 36 7.400 -5.924 -5.872 1.00 0.00 N ATOM 553 CA GLN A 36 6.846 -4.938 -4.964 1.00 0.00 C ATOM 554 C GLN A 36 7.840 -3.820 -4.657 1.00 0.00 C ATOM 555 O GLN A 36 8.028 -3.444 -3.500 1.00 0.00 O ATOM 556 CB GLN A 36 6.303 -5.581 -3.691 1.00 0.00 C ATOM 557 CG GLN A 36 5.349 -6.743 -3.962 1.00 0.00 C ATOM 558 CD GLN A 36 6.010 -8.058 -3.570 1.00 0.00 C ATOM 559 OE1 GLN A 36 5.699 -8.643 -2.537 1.00 0.00 O ATOM 560 NE2 GLN A 36 6.934 -8.524 -4.400 1.00 0.00 N ATOM 0 H GLN A 36 8.118 -6.507 -5.443 1.00 0.00 H new ATOM 0 HA GLN A 36 6.001 -4.477 -5.475 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.138 -5.938 -3.088 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.785 -4.824 -3.102 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.427 -6.607 -3.397 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.077 -6.763 -5.017 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.164 -8.008 -5.249 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.414 -9.399 -4.189 1.00 0.00 H new ATOM 569 N ASN A 37 8.478 -3.291 -5.702 1.00 0.00 N ATOM 570 CA ASN A 37 9.386 -2.162 -5.586 1.00 0.00 C ATOM 571 C ASN A 37 9.133 -1.209 -6.756 1.00 0.00 C ATOM 572 O ASN A 37 9.006 -1.653 -7.895 1.00 0.00 O ATOM 573 CB ASN A 37 10.828 -2.666 -5.577 1.00 0.00 C ATOM 574 CG ASN A 37 11.572 -2.291 -6.844 1.00 0.00 C ATOM 575 OD1 ASN A 37 12.249 -1.273 -6.903 1.00 0.00 O ATOM 576 ND2 ASN A 37 11.438 -3.116 -7.866 1.00 0.00 N ATOM 0 H ASN A 37 8.375 -3.639 -6.655 1.00 0.00 H new ATOM 0 HA ASN A 37 9.215 -1.624 -4.654 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.351 -2.252 -4.715 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.832 -3.750 -5.462 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.909 -2.916 -8.748 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.864 -3.954 -7.773 1.00 0.00 H new ATOM 583 N PRO A 38 9.058 0.100 -6.493 1.00 0.00 N ATOM 584 CA PRO A 38 8.835 1.118 -7.504 1.00 0.00 C ATOM 585 C PRO A 38 9.987 1.316 -8.482 1.00 0.00 C ATOM 586 O PRO A 38 9.741 1.268 -9.681 1.00 0.00 O ATOM 587 CB PRO A 38 8.690 2.403 -6.713 1.00 0.00 C ATOM 588 CG PRO A 38 8.391 2.005 -5.285 1.00 0.00 C ATOM 589 CD PRO A 38 9.155 0.694 -5.178 1.00 0.00 C ATOM 0 HA PRO A 38 7.978 0.827 -8.111 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.604 2.995 -6.766 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.887 3.019 -7.119 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.744 2.747 -4.569 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.323 1.875 -5.109 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.194 0.864 -4.897 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.721 0.044 -4.418 1.00 0.00 H new ATOM 597 N VAL A 39 11.224 1.537 -8.019 1.00 0.00 N ATOM 598 CA VAL A 39 12.354 1.748 -8.919 1.00 0.00 C ATOM 599 C VAL A 39 12.386 0.763 -10.072 1.00 0.00 C ATOM 600 O VAL A 39 12.796 1.088 -11.184 1.00 0.00 O ATOM 601 CB VAL A 39 13.693 1.750 -8.183 1.00 0.00 C ATOM 602 CG1 VAL A 39 13.706 1.559 -6.675 1.00 0.00 C ATOM 603 CG2 VAL A 39 14.777 0.912 -8.854 1.00 0.00 C ATOM 0 H VAL A 39 11.463 1.573 -7.028 1.00 0.00 H new ATOM 0 HA VAL A 39 12.199 2.741 -9.342 1.00 0.00 H new ATOM 0 HB VAL A 39 13.939 2.806 -8.293 1.00 0.00 H new ATOM 0 HG11 VAL A 39 14.734 1.586 -6.314 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.134 2.357 -6.202 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.260 0.596 -6.426 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.695 0.967 -8.268 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.448 -0.125 -8.916 1.00 0.00 H new ATOM 0 HG23 VAL A 39 14.964 1.294 -9.857 1.00 0.00 H new ATOM 613 N GLY A 40 11.939 -0.446 -9.779 1.00 0.00 N ATOM 614 CA GLY A 40 11.800 -1.490 -10.785 1.00 0.00 C ATOM 615 C GLY A 40 10.995 -0.955 -11.958 1.00 0.00 C ATOM 616 O GLY A 40 11.463 -0.957 -13.095 1.00 0.00 O ATOM 0 H GLY A 40 11.662 -0.733 -8.840 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.783 -1.818 -11.123 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.304 -2.361 -10.356 1.00 0.00 H new ATOM 620 N TYR A 41 9.783 -0.481 -11.678 1.00 0.00 N ATOM 621 CA TYR A 41 8.916 0.124 -12.656 1.00 0.00 C ATOM 622 C TYR A 41 9.466 1.475 -13.099 1.00 0.00 C ATOM 623 O TYR A 41 9.216 1.883 -14.225 1.00 0.00 O ATOM 624 CB TYR A 41 7.571 0.315 -11.966 1.00 0.00 C ATOM 625 CG TYR A 41 6.911 -0.985 -11.595 1.00 0.00 C ATOM 626 CD1 TYR A 41 6.214 -1.723 -12.565 1.00 0.00 C ATOM 627 CD2 TYR A 41 7.001 -1.456 -10.278 1.00 0.00 C ATOM 628 CE1 TYR A 41 5.609 -2.938 -12.224 1.00 0.00 C ATOM 629 CE2 TYR A 41 6.407 -2.677 -9.931 1.00 0.00 C ATOM 630 CZ TYR A 41 5.701 -3.418 -10.899 1.00 0.00 C ATOM 631 OH TYR A 41 5.109 -4.599 -10.560 1.00 0.00 O ATOM 0 H TYR A 41 9.379 -0.513 -10.742 1.00 0.00 H new ATOM 0 HA TYR A 41 8.831 -0.501 -13.545 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.712 0.914 -11.066 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.908 0.878 -12.623 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.145 -1.352 -13.577 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.527 -0.879 -9.532 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.074 -3.506 -12.971 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.491 -3.050 -8.921 1.00 0.00 H new ATOM 0 HH TYR A 41 5.515 -4.945 -9.738 1.00 0.00 H new ATOM 641 N SER A 42 10.205 2.167 -12.231 1.00 0.00 N ATOM 642 CA SER A 42 10.593 3.552 -12.476 1.00 0.00 C ATOM 643 C SER A 42 11.746 3.663 -13.465 1.00 0.00 C ATOM 644 O SER A 42 11.763 4.581 -14.282 1.00 0.00 O ATOM 645 CB SER A 42 10.990 4.221 -11.157 1.00 0.00 C ATOM 646 OG SER A 42 10.050 3.890 -10.168 1.00 0.00 O ATOM 0 H SER A 42 10.547 1.787 -11.349 1.00 0.00 H new ATOM 0 HA SER A 42 9.731 4.057 -12.912 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.984 3.893 -10.854 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.036 5.303 -11.284 1.00 0.00 H new ATOM 0 HG SER A 42 9.761 2.961 -10.289 1.00 0.00 H new ATOM 652 N ASN A 43 12.708 2.740 -13.404 1.00 0.00 N ATOM 653 CA ASN A 43 13.822 2.721 -14.336 1.00 0.00 C ATOM 654 C ASN A 43 13.295 2.310 -15.712 1.00 0.00 C ATOM 655 O ASN A 43 13.571 2.965 -16.716 1.00 0.00 O ATOM 656 CB ASN A 43 14.868 1.718 -13.844 1.00 0.00 C ATOM 657 CG ASN A 43 15.587 2.179 -12.587 1.00 0.00 C ATOM 658 OD1 ASN A 43 15.034 2.903 -11.772 1.00 0.00 O ATOM 659 ND2 ASN A 43 16.837 1.758 -12.430 1.00 0.00 N ATOM 0 H ASN A 43 12.731 1.993 -12.710 1.00 0.00 H new ATOM 0 HA ASN A 43 14.285 3.706 -14.405 1.00 0.00 H new ATOM 0 HB2 ASN A 43 14.383 0.762 -13.648 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.600 1.548 -14.633 1.00 0.00 H new ATOM 0 HD21 ASN A 43 17.370 2.038 -11.607 1.00 0.00 H new ATOM 0 HD22 ASN A 43 17.264 1.154 -13.133 1.00 0.00 H new ATOM 666 N LYS A 44 12.524 1.216 -15.735 1.00 0.00 N ATOM 667 CA LYS A 44 11.866 0.709 -16.929 1.00 0.00 C ATOM 668 C LYS A 44 10.935 1.786 -17.491 1.00 0.00 C ATOM 669 O LYS A 44 10.766 1.877 -18.698 1.00 0.00 O ATOM 670 CB LYS A 44 11.100 -0.545 -16.522 1.00 0.00 C ATOM 671 CG LYS A 44 10.366 -1.191 -17.694 1.00 0.00 C ATOM 672 CD LYS A 44 9.776 -2.528 -17.247 1.00 0.00 C ATOM 673 CE LYS A 44 9.047 -3.202 -18.409 1.00 0.00 C ATOM 674 NZ LYS A 44 8.500 -4.514 -18.009 1.00 0.00 N ATOM 0 H LYS A 44 12.341 0.653 -14.904 1.00 0.00 H new ATOM 0 HA LYS A 44 12.582 0.459 -17.712 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.794 -1.266 -16.091 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.381 -0.290 -15.744 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.574 -0.532 -18.049 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.052 -1.344 -18.527 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.570 -3.179 -16.880 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.086 -2.370 -16.419 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.238 -2.559 -18.756 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.733 -3.331 -19.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.912 -4.894 -18.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.282 -5.171 -17.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.920 -4.402 -17.153 1.00 0.00 H new ATOM 688 N ALA A 45 10.334 2.605 -16.623 1.00 0.00 N ATOM 689 CA ALA A 45 9.386 3.627 -17.049 1.00 0.00 C ATOM 690 C ALA A 45 10.096 4.836 -17.648 1.00 0.00 C ATOM 691 O ALA A 45 9.692 5.312 -18.706 1.00 0.00 O ATOM 692 CB ALA A 45 8.533 4.083 -15.867 1.00 0.00 C ATOM 0 H ALA A 45 10.492 2.576 -15.616 1.00 0.00 H new ATOM 0 HA ALA A 45 8.751 3.183 -17.816 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.829 4.846 -16.199 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.983 3.232 -15.466 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.177 4.497 -15.091 1.00 0.00 H new ATOM 698 N MET A 46 11.143 5.340 -16.994 1.00 0.00 N ATOM 699 CA MET A 46 11.840 6.520 -17.489 1.00 0.00 C ATOM 700 C MET A 46 12.443 6.229 -18.863 1.00 0.00 C ATOM 701 O MET A 46 12.569 7.118 -19.704 1.00 0.00 O ATOM 702 CB MET A 46 12.921 6.937 -16.480 1.00 0.00 C ATOM 703 CG MET A 46 13.062 8.457 -16.361 1.00 0.00 C ATOM 704 SD MET A 46 13.557 9.339 -17.859 1.00 0.00 S ATOM 705 CE MET A 46 11.944 9.965 -18.404 1.00 0.00 C ATOM 0 H MET A 46 11.521 4.952 -16.130 1.00 0.00 H new ATOM 0 HA MET A 46 11.137 7.346 -17.600 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.680 6.521 -15.502 1.00 0.00 H new ATOM 0 HB3 MET A 46 13.878 6.510 -16.781 1.00 0.00 H new ATOM 0 HG2 MET A 46 12.108 8.863 -16.025 1.00 0.00 H new ATOM 0 HG3 MET A 46 13.792 8.672 -15.581 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.841 9.818 -19.479 1.00 0.00 H new ATOM 0 HE2 MET A 46 11.151 9.426 -17.886 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.870 11.028 -18.174 1.00 0.00 H new ATOM 715 N ALA A 47 12.814 4.968 -19.096 1.00 0.00 N ATOM 716 CA ALA A 47 13.337 4.542 -20.379 1.00 0.00 C ATOM 717 C ALA A 47 12.222 4.481 -21.424 1.00 0.00 C ATOM 718 O ALA A 47 12.450 4.839 -22.576 1.00 0.00 O ATOM 719 CB ALA A 47 13.974 3.171 -20.208 1.00 0.00 C ATOM 0 H ALA A 47 12.758 4.224 -18.400 1.00 0.00 H new ATOM 0 HA ALA A 47 14.081 5.259 -20.727 1.00 0.00 H new ATOM 0 HB1 ALA A 47 14.374 2.834 -21.164 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.782 3.234 -19.479 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.224 2.462 -19.858 1.00 0.00 H new ATOM 725 N LEU A 48 11.021 4.034 -21.041 1.00 0.00 N ATOM 726 CA LEU A 48 9.899 3.966 -21.963 1.00 0.00 C ATOM 727 C LEU A 48 9.499 5.351 -22.462 1.00 0.00 C ATOM 728 O LEU A 48 8.961 5.457 -23.558 1.00 0.00 O ATOM 729 CB LEU A 48 8.710 3.282 -21.283 1.00 0.00 C ATOM 730 CG LEU A 48 8.927 1.772 -21.151 1.00 0.00 C ATOM 731 CD1 LEU A 48 7.860 1.197 -20.231 1.00 0.00 C ATOM 732 CD2 LEU A 48 8.836 1.082 -22.506 1.00 0.00 C ATOM 0 H LEU A 48 10.808 3.715 -20.096 1.00 0.00 H new ATOM 0 HA LEU A 48 10.207 3.380 -22.829 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.557 3.716 -20.295 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.803 3.471 -21.858 1.00 0.00 H new ATOM 0 HG LEU A 48 9.923 1.601 -20.742 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.007 0.122 -20.131 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.934 1.666 -19.250 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.874 1.391 -20.652 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.994 0.011 -22.380 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.850 1.255 -22.937 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.599 1.486 -23.172 1.00 0.00 H new ATOM 744 N ILE A 49 9.752 6.419 -21.700 1.00 0.00 N ATOM 745 CA ILE A 49 9.507 7.771 -22.197 1.00 0.00 C ATOM 746 C ILE A 49 10.519 8.086 -23.283 1.00 0.00 C ATOM 747 O ILE A 49 10.161 8.567 -24.355 1.00 0.00 O ATOM 748 CB ILE A 49 9.641 8.778 -21.047 1.00 0.00 C ATOM 749 CG1 ILE A 49 8.342 8.923 -20.249 1.00 0.00 C ATOM 750 CG2 ILE A 49 10.028 10.158 -21.579 1.00 0.00 C ATOM 751 CD1 ILE A 49 8.132 7.751 -19.301 1.00 0.00 C ATOM 0 H ILE A 49 10.121 6.373 -20.750 1.00 0.00 H new ATOM 0 HA ILE A 49 8.499 7.838 -22.606 1.00 0.00 H new ATOM 0 HB ILE A 49 10.419 8.389 -20.390 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.366 9.852 -19.680 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.498 8.992 -20.936 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.118 10.857 -20.747 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.982 10.092 -22.102 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.260 10.511 -22.268 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.200 7.889 -18.752 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.082 6.825 -19.873 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.963 7.699 -18.598 1.00 0.00 H new ATOM 763 N LYS A 50 11.797 7.814 -23.005 1.00 0.00 N ATOM 764 CA LYS A 50 12.871 7.961 -23.959 1.00 0.00 C ATOM 765 C LYS A 50 12.724 7.016 -25.161 1.00 0.00 C ATOM 766 O LYS A 50 13.472 7.137 -26.126 1.00 0.00 O ATOM 767 CB LYS A 50 14.166 7.719 -23.202 1.00 0.00 C ATOM 768 CG LYS A 50 15.034 8.965 -23.259 1.00 0.00 C ATOM 769 CD LYS A 50 14.412 10.093 -22.444 1.00 0.00 C ATOM 770 CE LYS A 50 14.589 9.804 -20.955 1.00 0.00 C ATOM 771 NZ LYS A 50 14.546 11.061 -20.186 1.00 0.00 N ATOM 0 H LYS A 50 12.107 7.481 -22.092 1.00 0.00 H new ATOM 0 HA LYS A 50 12.856 8.962 -24.389 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.950 7.462 -22.165 1.00 0.00 H new ATOM 0 HB3 LYS A 50 14.699 6.873 -23.635 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.029 8.739 -22.876 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.156 9.282 -24.295 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.883 11.042 -22.699 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.353 10.188 -22.683 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.803 9.131 -20.611 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.539 9.297 -20.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.446 10.845 -19.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.426 11.593 -20.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.736 11.633 -20.500 1.00 0.00 H new ATOM 785 N LEU A 51 11.770 6.083 -25.110 1.00 0.00 N ATOM 786 CA LEU A 51 11.441 5.186 -26.204 1.00 0.00 C ATOM 787 C LEU A 51 10.108 5.628 -26.813 1.00 0.00 C ATOM 788 O LEU A 51 9.721 5.166 -27.883 1.00 0.00 O ATOM 789 CB LEU A 51 11.318 3.765 -25.643 1.00 0.00 C ATOM 790 CG LEU A 51 12.672 3.161 -25.249 1.00 0.00 C ATOM 791 CD1 LEU A 51 12.441 1.881 -24.448 1.00 0.00 C ATOM 792 CD2 LEU A 51 13.501 2.802 -26.479 1.00 0.00 C ATOM 0 H LEU A 51 11.194 5.932 -24.282 1.00 0.00 H new ATOM 0 HA LEU A 51 12.213 5.208 -26.973 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.664 3.779 -24.771 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.843 3.126 -26.387 1.00 0.00 H new ATOM 0 HG LEU A 51 13.209 3.904 -24.660 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.402 1.450 -24.167 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.870 2.112 -23.549 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.886 1.166 -25.056 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.454 2.377 -26.164 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.960 2.073 -27.082 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.682 3.700 -27.070 1.00 0.00 H new ATOM 804 N GLY A 52 9.411 6.533 -26.113 1.00 0.00 N ATOM 805 CA GLY A 52 8.101 7.053 -26.472 1.00 0.00 C ATOM 806 C GLY A 52 7.030 5.973 -26.375 1.00 0.00 C ATOM 807 O GLY A 52 5.951 6.091 -26.950 1.00 0.00 O ATOM 0 H GLY A 52 9.767 6.935 -25.246 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.844 7.883 -25.814 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.130 7.449 -27.487 1.00 0.00 H new ATOM 811 N GLU A 53 7.355 4.918 -25.628 1.00 0.00 N ATOM 812 CA GLU A 53 6.471 3.819 -25.291 1.00 0.00 C ATOM 813 C GLU A 53 5.771 4.146 -23.991 1.00 0.00 C ATOM 814 O GLU A 53 5.464 3.287 -23.163 1.00 0.00 O ATOM 815 CB GLU A 53 7.277 2.527 -25.219 1.00 0.00 C ATOM 816 CG GLU A 53 7.894 2.208 -26.582 1.00 0.00 C ATOM 817 CD GLU A 53 6.844 1.658 -27.545 1.00 0.00 C ATOM 818 OE1 GLU A 53 6.564 0.442 -27.463 1.00 0.00 O ATOM 819 OE2 GLU A 53 6.329 2.458 -28.355 1.00 0.00 O ATOM 0 H GLU A 53 8.286 4.808 -25.226 1.00 0.00 H new ATOM 0 HA GLU A 53 5.706 3.676 -26.055 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.063 2.622 -24.470 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.633 1.706 -24.903 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.341 3.109 -27.002 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.697 1.481 -26.460 1.00 0.00 H new ATOM 826 N TYR A 54 5.528 5.443 -23.853 1.00 0.00 N ATOM 827 CA TYR A 54 4.689 6.045 -22.855 1.00 0.00 C ATOM 828 C TYR A 54 3.475 5.181 -22.519 1.00 0.00 C ATOM 829 O TYR A 54 3.130 5.050 -21.351 1.00 0.00 O ATOM 830 CB TYR A 54 4.132 7.272 -23.531 1.00 0.00 C ATOM 831 CG TYR A 54 5.062 8.284 -24.137 1.00 0.00 C ATOM 832 CD1 TYR A 54 6.223 8.690 -23.477 1.00 0.00 C ATOM 833 CD2 TYR A 54 4.744 8.801 -25.402 1.00 0.00 C ATOM 834 CE1 TYR A 54 7.089 9.598 -24.096 1.00 0.00 C ATOM 835 CE2 TYR A 54 5.638 9.662 -26.050 1.00 0.00 C ATOM 836 CZ TYR A 54 6.808 10.079 -25.390 1.00 0.00 C ATOM 837 OH TYR A 54 7.671 10.936 -26.005 1.00 0.00 O ATOM 0 H TYR A 54 5.942 6.134 -24.478 1.00 0.00 H new ATOM 0 HA TYR A 54 5.262 6.214 -21.943 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.464 6.931 -24.322 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.517 7.795 -22.798 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.452 8.305 -22.494 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.810 8.535 -25.875 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.977 9.932 -23.580 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.430 10.005 -27.053 1.00 0.00 H new ATOM 0 HH TYR A 54 7.325 11.168 -26.892 1.00 0.00 H new ATOM 847 N THR A 55 2.827 4.591 -23.536 1.00 0.00 N ATOM 848 CA THR A 55 1.615 3.803 -23.336 1.00 0.00 C ATOM 849 C THR A 55 1.834 2.779 -22.238 1.00 0.00 C ATOM 850 O THR A 55 0.940 2.459 -21.459 1.00 0.00 O ATOM 851 CB THR A 55 1.229 3.093 -24.633 1.00 0.00 C ATOM 852 OG1 THR A 55 1.283 3.992 -25.715 1.00 0.00 O ATOM 853 CG2 THR A 55 -0.186 2.541 -24.486 1.00 0.00 C ATOM 0 H THR A 55 3.130 4.650 -24.508 1.00 0.00 H new ATOM 0 HA THR A 55 0.807 4.474 -23.043 1.00 0.00 H new ATOM 0 HB THR A 55 1.928 2.279 -24.827 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.035 3.526 -26.541 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.475 2.031 -25.405 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.217 1.836 -23.655 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.878 3.361 -24.293 1.00 0.00 H new ATOM 861 N GLN A 56 3.061 2.272 -22.204 1.00 0.00 N ATOM 862 CA GLN A 56 3.525 1.305 -21.230 1.00 0.00 C ATOM 863 C GLN A 56 4.043 1.999 -19.977 1.00 0.00 C ATOM 864 O GLN A 56 3.799 1.540 -18.867 1.00 0.00 O ATOM 865 CB GLN A 56 4.651 0.492 -21.870 1.00 0.00 C ATOM 866 CG GLN A 56 4.240 -0.100 -23.217 1.00 0.00 C ATOM 867 CD GLN A 56 3.009 -0.988 -23.091 1.00 0.00 C ATOM 868 OE1 GLN A 56 3.110 -2.182 -22.826 1.00 0.00 O ATOM 869 NE2 GLN A 56 1.835 -0.398 -23.282 1.00 0.00 N ATOM 0 H GLN A 56 3.780 2.535 -22.878 1.00 0.00 H new ATOM 0 HA GLN A 56 2.698 0.658 -20.937 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.525 1.129 -22.006 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.945 -0.312 -21.196 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.036 0.706 -23.922 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.067 -0.680 -23.627 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.794 0.597 -23.501 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.974 -0.940 -23.210 1.00 0.00 H new ATOM 878 N ALA A 57 4.753 3.112 -20.157 1.00 0.00 N ATOM 879 CA ALA A 57 5.279 3.901 -19.056 1.00 0.00 C ATOM 880 C ALA A 57 4.180 4.338 -18.091 1.00 0.00 C ATOM 881 O ALA A 57 4.380 4.353 -16.876 1.00 0.00 O ATOM 882 CB ALA A 57 5.943 5.141 -19.654 1.00 0.00 C ATOM 0 H ALA A 57 4.978 3.489 -21.078 1.00 0.00 H new ATOM 0 HA ALA A 57 5.987 3.295 -18.491 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.350 5.758 -18.853 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.748 4.836 -20.322 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.205 5.715 -20.214 1.00 0.00 H new ATOM 888 N ILE A 58 3.015 4.692 -18.636 1.00 0.00 N ATOM 889 CA ILE A 58 1.863 5.125 -17.861 1.00 0.00 C ATOM 890 C ILE A 58 1.432 3.992 -16.938 1.00 0.00 C ATOM 891 O ILE A 58 0.982 4.241 -15.822 1.00 0.00 O ATOM 892 CB ILE A 58 0.747 5.482 -18.853 1.00 0.00 C ATOM 893 CG1 ILE A 58 1.173 6.646 -19.750 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.555 5.868 -18.148 1.00 0.00 C ATOM 895 CD1 ILE A 58 0.448 6.548 -21.097 1.00 0.00 C ATOM 0 H ILE A 58 2.848 4.684 -19.642 1.00 0.00 H new ATOM 0 HA ILE A 58 2.097 5.994 -17.245 1.00 0.00 H new ATOM 0 HB ILE A 58 0.570 4.587 -19.450 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.939 7.595 -19.268 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.252 6.624 -19.904 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.313 6.112 -18.892 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.900 5.033 -17.538 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.380 6.735 -17.511 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.752 7.378 -21.735 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.704 5.605 -21.580 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.629 6.591 -20.935 1.00 0.00 H new ATOM 907 N GLN A 59 1.573 2.742 -17.399 1.00 0.00 N ATOM 908 CA GLN A 59 1.229 1.581 -16.608 1.00 0.00 C ATOM 909 C GLN A 59 2.283 1.319 -15.541 1.00 0.00 C ATOM 910 O GLN A 59 1.953 0.891 -14.438 1.00 0.00 O ATOM 911 CB GLN A 59 1.133 0.374 -17.532 1.00 0.00 C ATOM 912 CG GLN A 59 0.154 0.573 -18.679 1.00 0.00 C ATOM 913 CD GLN A 59 -1.139 1.204 -18.210 1.00 0.00 C ATOM 914 OE1 GLN A 59 -1.826 0.684 -17.336 1.00 0.00 O ATOM 915 NE2 GLN A 59 -1.476 2.344 -18.797 1.00 0.00 N ATOM 0 H GLN A 59 1.929 2.521 -18.329 1.00 0.00 H new ATOM 0 HA GLN A 59 0.276 1.759 -16.110 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.120 0.157 -17.939 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.830 -0.497 -16.951 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.611 1.204 -19.442 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.059 -0.388 -19.146 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.876 2.742 -19.519 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.335 2.823 -18.526 1.00 0.00 H new ATOM 924 N MET A 60 3.554 1.573 -15.863 1.00 0.00 N ATOM 925 CA MET A 60 4.651 1.366 -14.927 1.00 0.00 C ATOM 926 C MET A 60 4.555 2.324 -13.741 1.00 0.00 C ATOM 927 O MET A 60 4.766 1.921 -12.601 1.00 0.00 O ATOM 928 CB MET A 60 5.994 1.608 -15.621 1.00 0.00 C ATOM 929 CG MET A 60 6.301 0.685 -16.801 1.00 0.00 C ATOM 930 SD MET A 60 6.268 -1.095 -16.458 1.00 0.00 S ATOM 931 CE MET A 60 4.538 -1.424 -16.868 1.00 0.00 C ATOM 0 H MET A 60 3.846 1.925 -16.775 1.00 0.00 H new ATOM 0 HA MET A 60 4.583 0.337 -14.573 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.021 2.639 -15.972 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.789 1.502 -14.883 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.583 0.894 -17.594 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.287 0.941 -17.188 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.436 -2.451 -17.219 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.920 -1.280 -15.981 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.213 -0.739 -17.651 1.00 0.00 H new ATOM 941 N CYS A 61 4.238 3.594 -13.995 1.00 0.00 N ATOM 942 CA CYS A 61 4.249 4.602 -12.949 1.00 0.00 C ATOM 943 C CYS A 61 3.133 4.356 -11.930 1.00 0.00 C ATOM 944 O CYS A 61 3.379 4.274 -10.731 1.00 0.00 O ATOM 945 CB CYS A 61 4.102 5.970 -13.612 1.00 0.00 C ATOM 946 SG CYS A 61 5.549 6.267 -14.656 1.00 0.00 S ATOM 0 H CYS A 61 3.972 3.943 -14.916 1.00 0.00 H new ATOM 0 HA CYS A 61 5.188 4.556 -12.398 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.191 6.004 -14.210 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.016 6.749 -12.855 1.00 0.00 H new ATOM 0 HG CYS A 61 5.423 5.608 -15.770 1.00 0.00 H new ATOM 952 N GLN A 62 1.893 4.231 -12.399 1.00 0.00 N ATOM 953 CA GLN A 62 0.788 3.875 -11.520 1.00 0.00 C ATOM 954 C GLN A 62 1.007 2.547 -10.781 1.00 0.00 C ATOM 955 O GLN A 62 0.444 2.352 -9.707 1.00 0.00 O ATOM 956 CB GLN A 62 -0.536 3.908 -12.287 1.00 0.00 C ATOM 957 CG GLN A 62 -0.560 2.997 -13.511 1.00 0.00 C ATOM 958 CD GLN A 62 -1.461 1.795 -13.280 1.00 0.00 C ATOM 959 OE1 GLN A 62 -2.538 1.694 -13.857 1.00 0.00 O ATOM 960 NE2 GLN A 62 -1.029 0.872 -12.426 1.00 0.00 N ATOM 0 H GLN A 62 1.632 4.370 -13.375 1.00 0.00 H new ATOM 0 HA GLN A 62 0.742 4.629 -10.735 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.343 3.618 -11.614 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.737 4.932 -12.603 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.910 3.557 -14.378 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.451 2.659 -13.737 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.127 0.988 -11.963 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.599 0.048 -12.234 1.00 0.00 H new ATOM 969 N GLN A 63 1.814 1.632 -11.329 1.00 0.00 N ATOM 970 CA GLN A 63 2.260 0.439 -10.610 1.00 0.00 C ATOM 971 C GLN A 63 3.250 0.802 -9.513 1.00 0.00 C ATOM 972 O GLN A 63 3.093 0.338 -8.389 1.00 0.00 O ATOM 973 CB GLN A 63 2.959 -0.502 -11.593 1.00 0.00 C ATOM 974 CG GLN A 63 2.256 -1.845 -11.748 1.00 0.00 C ATOM 975 CD GLN A 63 0.816 -1.704 -12.216 1.00 0.00 C ATOM 976 OE1 GLN A 63 -0.116 -1.785 -11.423 1.00 0.00 O ATOM 977 NE2 GLN A 63 0.608 -1.490 -13.507 1.00 0.00 N ATOM 0 H GLN A 63 2.174 1.699 -12.281 1.00 0.00 H new ATOM 0 HA GLN A 63 1.389 -0.038 -10.161 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.020 -0.018 -12.567 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.982 -0.672 -11.257 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.807 -2.458 -12.461 1.00 0.00 H new ATOM 0 HG3 GLN A 63 2.274 -2.372 -10.794 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.399 -1.426 -14.147 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.343 -1.389 -13.860 1.00 0.00 H new ATOM 986 N GLY A 64 4.266 1.615 -9.801 1.00 0.00 N ATOM 987 CA GLY A 64 5.211 2.036 -8.779 1.00 0.00 C ATOM 988 C GLY A 64 4.490 2.544 -7.529 1.00 0.00 C ATOM 989 O GLY A 64 4.929 2.288 -6.411 1.00 0.00 O ATOM 0 H GLY A 64 4.452 1.991 -10.731 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.858 1.200 -8.513 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.853 2.823 -9.176 1.00 0.00 H new ATOM 993 N LEU A 65 3.377 3.259 -7.725 1.00 0.00 N ATOM 994 CA LEU A 65 2.558 3.829 -6.657 1.00 0.00 C ATOM 995 C LEU A 65 1.922 2.783 -5.733 1.00 0.00 C ATOM 996 O LEU A 65 1.307 3.153 -4.733 1.00 0.00 O ATOM 997 CB LEU A 65 1.434 4.660 -7.286 1.00 0.00 C ATOM 998 CG LEU A 65 1.851 6.080 -7.673 1.00 0.00 C ATOM 999 CD1 LEU A 65 0.676 6.737 -8.391 1.00 0.00 C ATOM 1000 CD2 LEU A 65 2.190 6.888 -6.419 1.00 0.00 C ATOM 0 H LEU A 65 3.014 3.461 -8.657 1.00 0.00 H new ATOM 0 HA LEU A 65 3.227 4.432 -6.044 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.069 4.145 -8.175 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.601 4.715 -6.585 1.00 0.00 H new ATOM 0 HG LEU A 65 2.730 6.047 -8.317 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.947 7.753 -8.678 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.427 6.162 -9.283 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.187 6.766 -7.725 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.486 7.897 -6.705 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.316 6.936 -5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.011 6.407 -5.887 1.00 0.00 H new ATOM 1012 N ARG A 66 2.056 1.492 -6.039 1.00 0.00 N ATOM 1013 CA ARG A 66 1.438 0.420 -5.279 1.00 0.00 C ATOM 1014 C ARG A 66 2.329 0.062 -4.105 1.00 0.00 C ATOM 1015 O ARG A 66 1.903 -0.579 -3.146 1.00 0.00 O ATOM 1016 CB ARG A 66 1.361 -0.772 -6.222 1.00 0.00 C ATOM 1017 CG ARG A 66 0.417 -0.447 -7.368 1.00 0.00 C ATOM 1018 CD ARG A 66 0.392 -1.631 -8.324 1.00 0.00 C ATOM 1019 NE ARG A 66 -0.158 -2.832 -7.689 1.00 0.00 N ATOM 1020 CZ ARG A 66 -0.790 -3.814 -8.338 1.00 0.00 C ATOM 1021 NH1 ARG A 66 -0.977 -3.764 -9.654 1.00 0.00 N ATOM 1022 NH2 ARG A 66 -1.246 -4.865 -7.661 1.00 0.00 N ATOM 0 H ARG A 66 2.605 1.164 -6.833 1.00 0.00 H new ATOM 0 HA ARG A 66 0.456 0.707 -4.903 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.352 -1.009 -6.608 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.009 -1.653 -5.685 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.585 -0.246 -6.988 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.748 0.452 -7.888 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.204 -1.378 -9.201 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.403 -1.836 -8.675 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.051 -2.925 -6.679 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.635 -2.965 -10.188 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.462 -4.525 -10.129 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.112 -4.918 -6.651 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.729 -5.617 -8.152 1.00 0.00 H new ATOM 1036 N TYR A 67 3.581 0.495 -4.222 1.00 0.00 N ATOM 1037 CA TYR A 67 4.647 0.129 -3.318 1.00 0.00 C ATOM 1038 C TYR A 67 5.255 1.309 -2.565 1.00 0.00 C ATOM 1039 O TYR A 67 6.038 1.099 -1.638 1.00 0.00 O ATOM 1040 CB TYR A 67 5.694 -0.533 -4.198 1.00 0.00 C ATOM 1041 CG TYR A 67 5.086 -1.458 -5.221 1.00 0.00 C ATOM 1042 CD1 TYR A 67 4.476 -2.648 -4.809 1.00 0.00 C ATOM 1043 CD2 TYR A 67 5.113 -1.100 -6.576 1.00 0.00 C ATOM 1044 CE1 TYR A 67 3.906 -3.509 -5.751 1.00 0.00 C ATOM 1045 CE2 TYR A 67 4.500 -1.937 -7.520 1.00 0.00 C ATOM 1046 CZ TYR A 67 3.905 -3.152 -7.115 1.00 0.00 C ATOM 1047 OH TYR A 67 3.325 -3.970 -8.036 1.00 0.00 O ATOM 0 H TYR A 67 3.881 1.124 -4.967 1.00 0.00 H new ATOM 0 HA TYR A 67 4.262 -0.522 -2.534 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.275 0.236 -4.708 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.388 -1.094 -3.572 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.446 -2.902 -3.760 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.601 -0.189 -6.890 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.468 -4.444 -5.435 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.483 -1.651 -8.561 1.00 0.00 H new ATOM 0 HH TYR A 67 3.943 -4.112 -8.783 1.00 0.00 H new ATOM 1057 N THR A 68 4.912 2.543 -2.941 1.00 0.00 N ATOM 1058 CA THR A 68 5.460 3.748 -2.319 1.00 0.00 C ATOM 1059 C THR A 68 4.845 4.028 -0.944 1.00 0.00 C ATOM 1060 O THR A 68 4.894 5.159 -0.465 1.00 0.00 O ATOM 1061 CB THR A 68 5.277 4.947 -3.252 1.00 0.00 C ATOM 1062 OG1 THR A 68 3.927 5.078 -3.630 1.00 0.00 O ATOM 1063 CG2 THR A 68 6.126 4.771 -4.508 1.00 0.00 C ATOM 0 H THR A 68 4.244 2.734 -3.688 1.00 0.00 H new ATOM 0 HA THR A 68 6.524 3.579 -2.156 1.00 0.00 H new ATOM 0 HB THR A 68 5.592 5.843 -2.717 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.501 5.773 -3.086 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.987 5.630 -5.164 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.177 4.693 -4.229 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.821 3.864 -5.029 1.00 0.00 H new ATOM 1071 N SER A 69 4.268 3.005 -0.309 1.00 0.00 N ATOM 1072 CA SER A 69 3.649 3.092 1.009 1.00 0.00 C ATOM 1073 C SER A 69 4.657 3.360 2.129 1.00 0.00 C ATOM 1074 O SER A 69 4.281 3.386 3.300 1.00 0.00 O ATOM 1075 CB SER A 69 2.932 1.776 1.294 1.00 0.00 C ATOM 1076 OG SER A 69 1.877 1.589 0.370 1.00 0.00 O ATOM 0 H SER A 69 4.219 2.069 -0.711 1.00 0.00 H new ATOM 0 HA SER A 69 2.958 3.935 0.992 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.636 0.947 1.227 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.539 1.779 2.311 1.00 0.00 H new ATOM 0 HG SER A 69 1.423 0.741 0.559 1.00 0.00 H new ATOM 1082 N THR A 70 5.930 3.559 1.786 1.00 0.00 N ATOM 1083 CA THR A 70 7.004 3.768 2.755 1.00 0.00 C ATOM 1084 C THR A 70 7.947 4.882 2.297 1.00 0.00 C ATOM 1085 O THR A 70 8.024 5.198 1.109 1.00 0.00 O ATOM 1086 CB THR A 70 7.753 2.446 2.959 1.00 0.00 C ATOM 1087 OG1 THR A 70 8.872 2.651 3.793 1.00 0.00 O ATOM 1088 CG2 THR A 70 8.213 1.859 1.628 1.00 0.00 C ATOM 0 H THR A 70 6.247 3.580 0.817 1.00 0.00 H new ATOM 0 HA THR A 70 6.579 4.086 3.707 1.00 0.00 H new ATOM 0 HB THR A 70 7.067 1.741 3.428 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.345 1.802 3.921 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.741 0.922 1.807 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.346 1.672 0.994 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.881 2.563 1.131 1.00 0.00 H new ATOM 1096 N ALA A 71 8.666 5.483 3.251 1.00 0.00 N ATOM 1097 CA ALA A 71 9.489 6.654 3.001 1.00 0.00 C ATOM 1098 C ALA A 71 10.783 6.344 2.247 1.00 0.00 C ATOM 1099 O ALA A 71 11.465 7.269 1.814 1.00 0.00 O ATOM 1100 CB ALA A 71 9.797 7.347 4.327 1.00 0.00 C ATOM 0 H ALA A 71 8.688 5.164 4.219 1.00 0.00 H new ATOM 0 HA ALA A 71 8.916 7.314 2.350 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.414 8.226 4.143 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.865 7.651 4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.332 6.659 4.982 1.00 0.00 H new ATOM 1106 N GLU A 72 11.146 5.068 2.076 1.00 0.00 N ATOM 1107 CA GLU A 72 12.273 4.715 1.226 1.00 0.00 C ATOM 1108 C GLU A 72 11.890 4.860 -0.241 1.00 0.00 C ATOM 1109 O GLU A 72 12.753 4.833 -1.116 1.00 0.00 O ATOM 1110 CB GLU A 72 12.702 3.271 1.479 1.00 0.00 C ATOM 1111 CG GLU A 72 11.551 2.283 1.315 1.00 0.00 C ATOM 1112 CD GLU A 72 11.969 0.875 1.723 1.00 0.00 C ATOM 1113 OE1 GLU A 72 12.667 0.219 0.918 1.00 0.00 O ATOM 1114 OE2 GLU A 72 11.586 0.461 2.839 1.00 0.00 O ATOM 0 H GLU A 72 10.677 4.274 2.513 1.00 0.00 H new ATOM 0 HA GLU A 72 13.098 5.387 1.462 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.504 3.007 0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.108 3.187 2.487 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.704 2.604 1.922 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.217 2.279 0.278 1.00 0.00 H new ATOM 1121 N HIS A 73 10.588 5.017 -0.502 1.00 0.00 N ATOM 1122 CA HIS A 73 10.038 5.037 -1.844 1.00 0.00 C ATOM 1123 C HIS A 73 9.334 6.356 -2.150 1.00 0.00 C ATOM 1124 O HIS A 73 8.786 6.522 -3.235 1.00 0.00 O ATOM 1125 CB HIS A 73 9.069 3.863 -1.992 1.00 0.00 C ATOM 1126 CG HIS A 73 9.724 2.507 -2.029 1.00 0.00 C ATOM 1127 ND1 HIS A 73 9.043 1.292 -1.958 1.00 0.00 N ATOM 1128 CD2 HIS A 73 11.065 2.265 -2.135 1.00 0.00 C ATOM 1129 CE1 HIS A 73 9.994 0.345 -2.034 1.00 0.00 C ATOM 1130 NE2 HIS A 73 11.214 0.898 -2.143 1.00 0.00 N ATOM 0 H HIS A 73 9.885 5.134 0.228 1.00 0.00 H new ATOM 0 HA HIS A 73 10.854 4.942 -2.560 1.00 0.00 H new ATOM 0 HB2 HIS A 73 8.361 3.887 -1.163 1.00 0.00 H new ATOM 0 HB3 HIS A 73 8.493 3.998 -2.907 1.00 0.00 H new ATOM 0 HD1 HIS A 73 8.037 1.152 -1.868 1.00 0.00 H new ATOM 0 HD2 HIS A 73 11.852 3.002 -2.200 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.803 -0.718 -2.011 1.00 0.00 H new ATOM 1138 N VAL A 74 9.339 7.303 -1.208 1.00 0.00 N ATOM 1139 CA VAL A 74 8.714 8.598 -1.430 1.00 0.00 C ATOM 1140 C VAL A 74 9.385 9.339 -2.588 1.00 0.00 C ATOM 1141 O VAL A 74 8.726 10.068 -3.326 1.00 0.00 O ATOM 1142 CB VAL A 74 8.793 9.423 -0.148 1.00 0.00 C ATOM 1143 CG1 VAL A 74 10.231 9.793 0.221 1.00 0.00 C ATOM 1144 CG2 VAL A 74 8.013 10.714 -0.344 1.00 0.00 C ATOM 0 H VAL A 74 9.769 7.193 -0.290 1.00 0.00 H new ATOM 0 HA VAL A 74 7.669 8.445 -1.698 1.00 0.00 H new ATOM 0 HB VAL A 74 8.378 8.815 0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.231 10.379 1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.814 8.884 0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 74 10.674 10.380 -0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.063 11.311 0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.444 11.277 -1.172 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.972 10.480 -0.568 1.00 0.00 H new ATOM 1154 N ALA A 75 10.696 9.147 -2.734 1.00 0.00 N ATOM 1155 CA ALA A 75 11.460 9.733 -3.821 1.00 0.00 C ATOM 1156 C ALA A 75 10.899 9.278 -5.156 1.00 0.00 C ATOM 1157 O ALA A 75 10.851 10.045 -6.116 1.00 0.00 O ATOM 1158 CB ALA A 75 12.906 9.262 -3.707 1.00 0.00 C ATOM 0 H ALA A 75 11.254 8.578 -2.097 1.00 0.00 H new ATOM 0 HA ALA A 75 11.404 10.820 -3.761 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.494 9.694 -4.517 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.318 9.581 -2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.941 8.175 -3.773 1.00 0.00 H new ATOM 1164 N ILE A 76 10.465 8.018 -5.215 1.00 0.00 N ATOM 1165 CA ILE A 76 9.903 7.464 -6.427 1.00 0.00 C ATOM 1166 C ILE A 76 8.439 7.825 -6.574 1.00 0.00 C ATOM 1167 O ILE A 76 7.945 7.945 -7.688 1.00 0.00 O ATOM 1168 CB ILE A 76 10.062 5.956 -6.393 1.00 0.00 C ATOM 1169 CG1 ILE A 76 11.548 5.655 -6.209 1.00 0.00 C ATOM 1170 CG2 ILE A 76 9.471 5.452 -7.707 1.00 0.00 C ATOM 1171 CD1 ILE A 76 12.062 4.706 -7.259 1.00 0.00 C ATOM 0 H ILE A 76 10.496 7.368 -4.430 1.00 0.00 H new ATOM 0 HA ILE A 76 10.433 7.882 -7.283 1.00 0.00 H new ATOM 0 HB ILE A 76 9.546 5.455 -5.574 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.115 6.585 -6.251 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.712 5.226 -5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.553 4.366 -7.750 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.421 5.740 -7.768 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.016 5.890 -8.543 1.00 0.00 H new ATOM 0 HD11 ILE A 76 13.123 4.518 -7.092 1.00 0.00 H new ATOM 0 HD12 ILE A 76 11.513 3.766 -7.200 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.923 5.146 -8.247 1.00 0.00 H new ATOM 1183 N ARG A 77 7.729 8.004 -5.459 1.00 0.00 N ATOM 1184 CA ARG A 77 6.349 8.448 -5.524 1.00 0.00 C ATOM 1185 C ARG A 77 6.303 9.795 -6.236 1.00 0.00 C ATOM 1186 O ARG A 77 5.294 10.185 -6.811 1.00 0.00 O ATOM 1187 CB ARG A 77 5.797 8.579 -4.109 1.00 0.00 C ATOM 1188 CG ARG A 77 4.283 8.731 -4.188 1.00 0.00 C ATOM 1189 CD ARG A 77 3.834 9.538 -2.975 1.00 0.00 C ATOM 1190 NE ARG A 77 2.378 9.673 -2.924 1.00 0.00 N ATOM 1191 CZ ARG A 77 1.562 8.794 -2.335 1.00 0.00 C ATOM 1192 NH1 ARG A 77 2.040 7.711 -1.737 1.00 0.00 N ATOM 1193 NH2 ARG A 77 0.248 9.006 -2.347 1.00 0.00 N ATOM 0 H ARG A 77 8.086 7.849 -4.516 1.00 0.00 H new ATOM 0 HA ARG A 77 5.743 7.728 -6.073 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.058 7.701 -3.519 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.238 9.442 -3.610 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.997 9.236 -5.111 1.00 0.00 H new ATOM 0 HG3 ARG A 77 3.800 7.754 -4.197 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.187 9.053 -2.065 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.290 10.527 -3.007 1.00 0.00 H new ATOM 0 HE ARG A 77 1.959 10.491 -3.367 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.045 7.539 -1.722 1.00 0.00 H new ATOM 0 HH12 ARG A 77 1.402 7.051 -1.292 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.131 9.836 -2.804 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.380 8.339 -1.899 1.00 0.00 H new ATOM 1207 N SER A 78 7.428 10.502 -6.183 1.00 0.00 N ATOM 1208 CA SER A 78 7.600 11.747 -6.893 1.00 0.00 C ATOM 1209 C SER A 78 8.038 11.485 -8.330 1.00 0.00 C ATOM 1210 O SER A 78 7.780 12.317 -9.195 1.00 0.00 O ATOM 1211 CB SER A 78 8.676 12.554 -6.170 1.00 0.00 C ATOM 1212 OG SER A 78 8.721 13.871 -6.676 1.00 0.00 O ATOM 0 H SER A 78 8.245 10.219 -5.641 1.00 0.00 H new ATOM 0 HA SER A 78 6.657 12.293 -6.918 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.468 12.575 -5.100 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.647 12.075 -6.297 1.00 0.00 H new ATOM 0 HG SER A 78 9.413 14.379 -6.204 1.00 0.00 H new ATOM 1218 N LYS A 79 8.696 10.348 -8.607 1.00 0.00 N ATOM 1219 CA LYS A 79 9.141 10.102 -9.963 1.00 0.00 C ATOM 1220 C LYS A 79 8.033 9.534 -10.814 1.00 0.00 C ATOM 1221 O LYS A 79 7.868 9.991 -11.935 1.00 0.00 O ATOM 1222 CB LYS A 79 10.355 9.183 -9.957 1.00 0.00 C ATOM 1223 CG LYS A 79 11.532 10.036 -9.510 1.00 0.00 C ATOM 1224 CD LYS A 79 12.816 9.226 -9.483 1.00 0.00 C ATOM 1225 CE LYS A 79 13.924 10.203 -9.129 1.00 0.00 C ATOM 1226 NZ LYS A 79 15.235 9.527 -9.140 1.00 0.00 N ATOM 0 H LYS A 79 8.919 9.618 -7.931 1.00 0.00 H new ATOM 0 HA LYS A 79 9.429 11.056 -10.406 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.204 8.343 -9.279 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.532 8.765 -10.948 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.648 10.884 -10.185 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.334 10.443 -8.518 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.755 8.423 -8.748 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.003 8.759 -10.450 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.929 11.029 -9.840 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.738 10.631 -8.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.934 10.116 -8.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.155 8.607 -8.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.542 9.380 -10.123 1.00 0.00 H new ATOM 1240 N LEU A 80 7.271 8.564 -10.308 1.00 0.00 N ATOM 1241 CA LEU A 80 6.239 7.918 -11.107 1.00 0.00 C ATOM 1242 C LEU A 80 5.363 8.986 -11.751 1.00 0.00 C ATOM 1243 O LEU A 80 5.041 8.912 -12.929 1.00 0.00 O ATOM 1244 CB LEU A 80 5.398 7.015 -10.193 1.00 0.00 C ATOM 1245 CG LEU A 80 6.027 5.659 -9.852 1.00 0.00 C ATOM 1246 CD1 LEU A 80 7.452 5.465 -10.347 1.00 0.00 C ATOM 1247 CD2 LEU A 80 5.920 5.428 -8.346 1.00 0.00 C ATOM 0 H LEU A 80 7.351 8.213 -9.354 1.00 0.00 H new ATOM 0 HA LEU A 80 6.690 7.312 -11.893 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.201 7.549 -9.264 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.434 6.840 -10.670 1.00 0.00 H new ATOM 0 HG LEU A 80 5.459 4.905 -10.397 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.807 4.476 -10.056 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.475 5.554 -11.433 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.097 6.226 -9.907 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.365 4.466 -8.093 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.448 6.222 -7.818 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.871 5.431 -8.051 1.00 0.00 H new ATOM 1259 N GLN A 81 4.991 9.977 -10.950 1.00 0.00 N ATOM 1260 CA GLN A 81 4.045 11.028 -11.259 1.00 0.00 C ATOM 1261 C GLN A 81 4.603 12.029 -12.261 1.00 0.00 C ATOM 1262 O GLN A 81 3.835 12.737 -12.906 1.00 0.00 O ATOM 1263 CB GLN A 81 3.744 11.690 -9.917 1.00 0.00 C ATOM 1264 CG GLN A 81 2.551 11.009 -9.269 1.00 0.00 C ATOM 1265 CD GLN A 81 2.712 9.495 -9.283 1.00 0.00 C ATOM 1266 OE1 GLN A 81 2.137 8.806 -10.120 1.00 0.00 O ATOM 1267 NE2 GLN A 81 3.500 8.963 -8.356 1.00 0.00 N ATOM 0 H GLN A 81 5.370 10.069 -10.007 1.00 0.00 H new ATOM 0 HA GLN A 81 3.148 10.630 -11.733 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.614 11.622 -9.263 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.536 12.750 -10.062 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.443 11.357 -8.242 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.639 11.286 -9.797 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.963 9.564 -7.675 1.00 0.00 H new ATOM 0 HE22 GLN A 81 3.642 7.953 -8.325 1.00 0.00 H new ATOM 1276 N TYR A 82 5.925 12.086 -12.401 1.00 0.00 N ATOM 1277 CA TYR A 82 6.553 13.019 -13.327 1.00 0.00 C ATOM 1278 C TYR A 82 6.581 12.512 -14.766 1.00 0.00 C ATOM 1279 O TYR A 82 6.464 13.298 -15.703 1.00 0.00 O ATOM 1280 CB TYR A 82 7.993 13.238 -12.900 1.00 0.00 C ATOM 1281 CG TYR A 82 8.788 14.049 -13.895 1.00 0.00 C ATOM 1282 CD1 TYR A 82 9.328 13.418 -15.028 1.00 0.00 C ATOM 1283 CD2 TYR A 82 8.988 15.423 -13.693 1.00 0.00 C ATOM 1284 CE1 TYR A 82 10.142 14.135 -15.914 1.00 0.00 C ATOM 1285 CE2 TYR A 82 9.784 16.151 -14.587 1.00 0.00 C ATOM 1286 CZ TYR A 82 10.375 15.509 -15.694 1.00 0.00 C ATOM 1287 OH TYR A 82 11.168 16.210 -16.551 1.00 0.00 O ATOM 0 H TYR A 82 6.579 11.498 -11.885 1.00 0.00 H new ATOM 0 HA TYR A 82 5.961 13.934 -13.298 1.00 0.00 H new ATOM 0 HB2 TYR A 82 8.007 13.744 -11.934 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.476 12.271 -12.760 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.115 12.376 -15.217 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.529 15.918 -12.850 1.00 0.00 H new ATOM 0 HE1 TYR A 82 10.589 13.638 -16.762 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.945 17.207 -14.428 1.00 0.00 H new ATOM 0 HH TYR A 82 11.224 17.143 -16.256 1.00 0.00 H new ATOM 1297 N ARG A 83 6.734 11.201 -14.962 1.00 0.00 N ATOM 1298 CA ARG A 83 6.763 10.628 -16.302 1.00 0.00 C ATOM 1299 C ARG A 83 5.449 9.901 -16.564 1.00 0.00 C ATOM 1300 O ARG A 83 5.232 9.357 -17.641 1.00 0.00 O ATOM 1301 CB ARG A 83 8.047 9.825 -16.553 1.00 0.00 C ATOM 1302 CG ARG A 83 8.157 8.486 -15.821 1.00 0.00 C ATOM 1303 CD ARG A 83 8.566 8.684 -14.367 1.00 0.00 C ATOM 1304 NE ARG A 83 9.968 9.109 -14.238 1.00 0.00 N ATOM 1305 CZ ARG A 83 10.918 8.424 -13.597 1.00 0.00 C ATOM 1306 NH1 ARG A 83 10.672 7.229 -13.076 1.00 0.00 N ATOM 1307 NH2 ARG A 83 12.137 8.941 -13.473 1.00 0.00 N ATOM 0 H ARG A 83 6.839 10.520 -14.210 1.00 0.00 H new ATOM 0 HA ARG A 83 6.822 11.412 -17.057 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.131 9.639 -17.624 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.899 10.443 -16.269 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.200 7.965 -15.865 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.888 7.853 -16.324 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.918 9.430 -13.907 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.418 7.753 -13.820 1.00 0.00 H new ATOM 0 HE ARG A 83 10.235 9.993 -14.671 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.743 6.817 -13.161 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.412 6.722 -12.590 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.344 9.859 -13.867 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.865 8.420 -12.984 1.00 0.00 H new ATOM 1321 N LEU A 84 4.578 9.914 -15.551 1.00 0.00 N ATOM 1322 CA LEU A 84 3.183 9.515 -15.689 1.00 0.00 C ATOM 1323 C LEU A 84 2.399 10.700 -16.243 1.00 0.00 C ATOM 1324 O LEU A 84 1.358 10.510 -16.862 1.00 0.00 O ATOM 1325 CB LEU A 84 2.621 9.136 -14.312 1.00 0.00 C ATOM 1326 CG LEU A 84 1.109 8.925 -14.270 1.00 0.00 C ATOM 1327 CD1 LEU A 84 0.669 7.792 -15.198 1.00 0.00 C ATOM 1328 CD2 LEU A 84 0.735 8.610 -12.823 1.00 0.00 C ATOM 0 H LEU A 84 4.828 10.205 -14.606 1.00 0.00 H new ATOM 0 HA LEU A 84 3.101 8.659 -16.359 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.110 8.222 -13.975 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.884 9.919 -13.601 1.00 0.00 H new ATOM 0 HG LEU A 84 0.601 9.824 -14.618 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.413 7.673 -15.140 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.953 8.030 -16.223 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.153 6.864 -14.894 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.341 8.452 -12.751 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.256 7.709 -12.500 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.023 9.444 -12.183 1.00 0.00 H new ATOM 1340 N GLU A 85 2.891 11.925 -16.025 1.00 0.00 N ATOM 1341 CA GLU A 85 2.180 13.123 -16.455 1.00 0.00 C ATOM 1342 C GLU A 85 2.556 13.540 -17.876 1.00 0.00 C ATOM 1343 O GLU A 85 1.877 14.376 -18.466 1.00 0.00 O ATOM 1344 CB GLU A 85 2.418 14.261 -15.458 1.00 0.00 C ATOM 1345 CG GLU A 85 3.665 15.080 -15.768 1.00 0.00 C ATOM 1346 CD GLU A 85 3.793 16.271 -14.825 1.00 0.00 C ATOM 1347 OE1 GLU A 85 3.146 17.304 -15.113 1.00 0.00 O ATOM 1348 OE2 GLU A 85 4.533 16.149 -13.824 1.00 0.00 O ATOM 0 H GLU A 85 3.777 12.107 -15.554 1.00 0.00 H new ATOM 0 HA GLU A 85 1.115 12.890 -16.474 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.550 14.920 -15.455 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.505 13.844 -14.455 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.549 14.448 -15.681 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.625 15.432 -16.799 1.00 0.00 H new ATOM 1355 N LEU A 86 3.630 12.962 -18.424 1.00 0.00 N ATOM 1356 CA LEU A 86 4.117 13.369 -19.732 1.00 0.00 C ATOM 1357 C LEU A 86 3.871 12.292 -20.784 1.00 0.00 C ATOM 1358 O LEU A 86 3.513 12.609 -21.916 1.00 0.00 O ATOM 1359 CB LEU A 86 5.602 13.740 -19.610 1.00 0.00 C ATOM 1360 CG LEU A 86 6.578 12.566 -19.745 1.00 0.00 C ATOM 1361 CD1 LEU A 86 6.889 12.275 -21.216 1.00 0.00 C ATOM 1362 CD2 LEU A 86 7.885 12.937 -19.052 1.00 0.00 C ATOM 0 H LEU A 86 4.170 12.218 -17.981 1.00 0.00 H new ATOM 0 HA LEU A 86 3.563 14.244 -20.072 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.840 14.480 -20.374 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.763 14.217 -18.643 1.00 0.00 H new ATOM 0 HG LEU A 86 6.122 11.684 -19.295 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.584 11.438 -21.282 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.967 12.024 -21.740 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.338 13.156 -21.674 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.591 12.111 -19.139 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.307 13.825 -19.522 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.693 13.140 -17.998 1.00 0.00 H new ATOM 1374 N ALA A 87 4.061 11.025 -20.408 1.00 0.00 N ATOM 1375 CA ALA A 87 3.882 9.887 -21.268 1.00 0.00 C ATOM 1376 C ALA A 87 2.481 9.912 -21.872 1.00 0.00 C ATOM 1377 O ALA A 87 2.341 10.026 -23.083 1.00 0.00 O ATOM 1378 CB ALA A 87 4.105 8.643 -20.409 1.00 0.00 C ATOM 0 H ALA A 87 4.353 10.771 -19.464 1.00 0.00 H new ATOM 0 HA ALA A 87 4.587 9.894 -22.100 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.979 7.750 -21.022 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.114 8.661 -19.997 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.381 8.629 -19.594 1.00 0.00 H new ATOM 1384 N GLN A 88 1.434 9.814 -21.045 1.00 0.00 N ATOM 1385 CA GLN A 88 0.064 9.811 -21.539 1.00 0.00 C ATOM 1386 C GLN A 88 -0.288 11.087 -22.296 1.00 0.00 C ATOM 1387 O GLN A 88 -1.209 11.094 -23.109 1.00 0.00 O ATOM 1388 CB GLN A 88 -0.928 9.581 -20.416 1.00 0.00 C ATOM 1389 CG GLN A 88 -0.760 10.532 -19.236 1.00 0.00 C ATOM 1390 CD GLN A 88 -1.785 10.213 -18.154 1.00 0.00 C ATOM 1391 OE1 GLN A 88 -2.991 10.261 -18.392 1.00 0.00 O ATOM 1392 NE2 GLN A 88 -1.315 9.885 -16.955 1.00 0.00 N ATOM 0 H GLN A 88 1.516 9.736 -20.031 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.003 8.982 -22.243 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.939 9.684 -20.811 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.827 8.556 -20.060 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.248 10.445 -18.830 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.881 11.563 -19.570 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.308 9.855 -16.792 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.961 9.663 -16.197 1.00 0.00 H new ATOM 1401 N GLY A 89 0.448 12.163 -22.030 1.00 0.00 N ATOM 1402 CA GLY A 89 0.262 13.439 -22.697 1.00 0.00 C ATOM 1403 C GLY A 89 0.956 13.433 -24.056 1.00 0.00 C ATOM 1404 O GLY A 89 0.976 14.445 -24.756 1.00 0.00 O ATOM 0 H GLY A 89 1.197 12.169 -21.337 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.802 13.638 -22.825 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.664 14.242 -22.079 1.00 0.00 H new ATOM 1408 N ALA A 90 1.524 12.280 -24.424 1.00 0.00 N ATOM 1409 CA ALA A 90 2.189 12.046 -25.690 1.00 0.00 C ATOM 1410 C ALA A 90 1.676 10.740 -26.322 1.00 0.00 C ATOM 1411 O ALA A 90 2.187 10.300 -27.351 1.00 0.00 O ATOM 1412 CB ALA A 90 3.693 12.006 -25.440 1.00 0.00 C ATOM 0 H ALA A 90 1.528 11.459 -23.818 1.00 0.00 H new ATOM 0 HA ALA A 90 1.971 12.848 -26.395 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.214 11.831 -26.381 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.017 12.957 -25.018 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.925 11.202 -24.742 1.00 0.00 H new ATOM 1418 N VAL A 91 0.659 10.125 -25.703 1.00 0.00 N ATOM 1419 CA VAL A 91 0.066 8.846 -26.108 1.00 0.00 C ATOM 1420 C VAL A 91 -1.404 8.972 -26.427 1.00 0.00 C ATOM 1421 O VAL A 91 -1.912 8.388 -27.381 1.00 0.00 O ATOM 1422 CB VAL A 91 0.167 7.927 -24.915 1.00 0.00 C ATOM 1423 CG1 VAL A 91 -0.412 6.524 -24.969 1.00 0.00 C ATOM 1424 CG2 VAL A 91 1.602 7.630 -24.730 1.00 0.00 C ATOM 0 H VAL A 91 0.211 10.520 -24.876 1.00 0.00 H new ATOM 0 HA VAL A 91 0.587 8.487 -26.995 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.395 8.481 -24.163 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.239 6.022 -24.017 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.484 6.580 -25.161 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.071 5.962 -25.768 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.729 6.966 -23.875 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.992 7.147 -25.626 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.146 8.558 -24.552 1.00 0.00 H new ATOM 1434 N GLY A 92 -2.059 9.759 -25.585 1.00 0.00 N ATOM 1435 CA GLY A 92 -3.498 9.914 -25.590 1.00 0.00 C ATOM 1436 C GLY A 92 -3.932 11.370 -25.753 1.00 0.00 C ATOM 1437 O GLY A 92 -5.092 11.696 -25.518 1.00 0.00 O ATOM 0 H GLY A 92 -1.593 10.315 -24.869 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.921 9.320 -26.400 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -3.905 9.519 -24.659 1.00 0.00 H new ATOM 1441 N SER A 93 -3.000 12.242 -26.157 1.00 0.00 N ATOM 1442 CA SER A 93 -3.249 13.671 -26.328 1.00 0.00 C ATOM 1443 C SER A 93 -2.534 14.204 -27.564 1.00 0.00 C ATOM 1444 O SER A 93 -2.286 15.402 -27.677 1.00 0.00 O ATOM 1445 CB SER A 93 -2.802 14.432 -25.083 1.00 0.00 C ATOM 1446 OG SER A 93 -3.491 13.964 -23.943 1.00 0.00 O ATOM 0 H SER A 93 -2.042 11.968 -26.376 1.00 0.00 H new ATOM 0 HA SER A 93 -4.320 13.820 -26.468 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.728 14.310 -24.941 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.987 15.498 -25.215 1.00 0.00 H new ATOM 0 HG SER A 93 -3.192 14.461 -23.153 1.00 0.00 H new ATOM 1452 N VAL A 94 -2.208 13.299 -28.487 1.00 0.00 N ATOM 1453 CA VAL A 94 -1.528 13.623 -29.735 1.00 0.00 C ATOM 1454 C VAL A 94 -2.194 12.847 -30.864 1.00 0.00 C ATOM 1455 O VAL A 94 -1.911 11.669 -31.076 1.00 0.00 O ATOM 1456 CB VAL A 94 -0.034 13.312 -29.639 1.00 0.00 C ATOM 1457 CG1 VAL A 94 0.675 13.715 -30.931 1.00 0.00 C ATOM 1458 CG2 VAL A 94 0.588 14.091 -28.480 1.00 0.00 C ATOM 0 H VAL A 94 -2.414 12.305 -28.384 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.612 14.691 -29.938 1.00 0.00 H new ATOM 0 HB VAL A 94 0.082 12.241 -29.474 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.738 13.488 -30.849 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.249 13.161 -31.768 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.544 14.784 -31.100 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.652 13.864 -28.419 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.454 15.160 -28.647 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.102 13.806 -27.547 1.00 0.00 H new ATOM 1468 N GLN A 95 -3.086 13.528 -31.584 1.00 0.00 N ATOM 1469 CA GLN A 95 -3.897 12.928 -32.630 1.00 0.00 C ATOM 1470 C GLN A 95 -4.108 13.898 -33.798 1.00 0.00 C ATOM 1471 O GLN A 95 -4.942 13.660 -34.670 1.00 0.00 O ATOM 1472 CB GLN A 95 -5.223 12.482 -32.009 1.00 0.00 C ATOM 1473 CG GLN A 95 -5.988 13.663 -31.403 1.00 0.00 C ATOM 1474 CD GLN A 95 -6.980 13.182 -30.355 1.00 0.00 C ATOM 1475 OE1 GLN A 95 -8.145 12.921 -30.647 1.00 0.00 O ATOM 1476 NE2 GLN A 95 -6.520 13.061 -29.111 1.00 0.00 N ATOM 0 H GLN A 95 -3.264 14.524 -31.451 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.385 12.061 -33.048 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.838 12.001 -32.770 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -5.031 11.737 -31.237 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.286 14.364 -30.951 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -6.516 14.203 -32.189 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -5.547 13.286 -28.903 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -7.141 12.743 -28.366 1.00 0.00 H new ATOM 1485 N ILE A 96 -3.341 14.992 -33.804 1.00 0.00 N ATOM 1486 CA ILE A 96 -3.358 16.001 -34.853 1.00 0.00 C ATOM 1487 C ILE A 96 -1.943 16.496 -35.193 1.00 0.00 C ATOM 1488 O ILE A 96 -1.776 17.680 -35.483 1.00 0.00 O ATOM 1489 CB ILE A 96 -4.271 17.171 -34.447 1.00 0.00 C ATOM 1490 CG1 ILE A 96 -3.820 17.776 -33.110 1.00 0.00 C ATOM 1491 CG2 ILE A 96 -5.727 16.704 -34.367 1.00 0.00 C ATOM 1492 CD1 ILE A 96 -4.644 19.002 -32.724 1.00 0.00 C ATOM 0 H ILE A 96 -2.677 15.200 -33.059 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.759 15.541 -35.756 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.197 17.947 -35.209 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -3.903 17.023 -32.326 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.768 18.053 -33.175 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.362 17.541 -34.079 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -6.042 16.327 -35.340 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.814 15.910 -33.625 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -4.288 19.395 -31.772 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.540 19.767 -33.493 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.693 18.721 -32.631 1.00 0.00 H new ATOM 1504 N PRO A 97 -0.908 15.636 -35.167 1.00 0.00 N ATOM 1505 CA PRO A 97 0.464 16.054 -35.411 1.00 0.00 C ATOM 1506 C PRO A 97 0.668 16.453 -36.875 1.00 0.00 C ATOM 1507 O PRO A 97 -0.199 16.220 -37.721 1.00 0.00 O ATOM 1508 CB PRO A 97 1.329 14.841 -35.057 1.00 0.00 C ATOM 1509 CG PRO A 97 0.402 13.664 -35.344 1.00 0.00 C ATOM 1510 CD PRO A 97 -0.958 14.205 -34.916 1.00 0.00 C ATOM 0 HA PRO A 97 0.726 16.929 -34.816 1.00 0.00 H new ATOM 0 HB2 PRO A 97 2.234 14.800 -35.663 1.00 0.00 H new ATOM 0 HB3 PRO A 97 1.645 14.861 -34.014 1.00 0.00 H new ATOM 0 HG2 PRO A 97 0.415 13.385 -36.398 1.00 0.00 H new ATOM 0 HG3 PRO A 97 0.683 12.777 -34.776 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -1.762 13.736 -35.483 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.148 13.998 -33.863 1.00 0.00 H new ATOM 1518 N VAL A 98 1.823 17.052 -37.173 1.00 0.00 N ATOM 1519 CA VAL A 98 2.202 17.440 -38.528 1.00 0.00 C ATOM 1520 C VAL A 98 2.671 16.198 -39.287 1.00 0.00 C ATOM 1521 O VAL A 98 3.819 16.107 -39.716 1.00 0.00 O ATOM 1522 CB VAL A 98 3.258 18.545 -38.504 1.00 0.00 C ATOM 1523 CG1 VAL A 98 3.472 19.126 -39.904 1.00 0.00 C ATOM 1524 CG2 VAL A 98 2.818 19.690 -37.592 1.00 0.00 C ATOM 0 H VAL A 98 2.527 17.282 -36.471 1.00 0.00 H new ATOM 0 HA VAL A 98 1.340 17.855 -39.051 1.00 0.00 H new ATOM 0 HB VAL A 98 4.182 18.098 -38.137 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.228 19.910 -39.861 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.806 18.337 -40.578 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.535 19.545 -40.271 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.583 20.467 -37.588 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.880 20.107 -37.958 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.677 19.314 -36.578 1.00 0.00 H new ATOM 1534 N VAL A 99 1.754 15.239 -39.435 1.00 0.00 N ATOM 1535 CA VAL A 99 1.955 13.943 -40.055 1.00 0.00 C ATOM 1536 C VAL A 99 2.151 14.010 -41.573 1.00 0.00 C ATOM 1537 O VAL A 99 1.871 13.064 -42.306 1.00 0.00 O ATOM 1538 CB VAL A 99 0.762 13.085 -39.631 1.00 0.00 C ATOM 1539 CG1 VAL A 99 -0.493 13.420 -40.438 1.00 0.00 C ATOM 1540 CG2 VAL A 99 1.099 11.609 -39.707 1.00 0.00 C ATOM 0 H VAL A 99 0.797 15.361 -39.103 1.00 0.00 H new ATOM 0 HA VAL A 99 2.891 13.498 -39.716 1.00 0.00 H new ATOM 0 HB VAL A 99 0.541 13.321 -38.590 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.318 12.789 -40.107 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.754 14.467 -40.287 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.303 13.243 -41.497 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.233 11.022 -39.400 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.369 11.350 -40.731 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.937 11.393 -39.045 1.00 0.00 H new ATOM 1550 N GLU A 100 2.640 15.157 -42.033 1.00 0.00 N ATOM 1551 CA GLU A 100 2.887 15.482 -43.421 1.00 0.00 C ATOM 1552 C GLU A 100 3.756 14.432 -44.107 1.00 0.00 C ATOM 1553 O GLU A 100 4.633 13.820 -43.493 1.00 0.00 O ATOM 1554 CB GLU A 100 3.566 16.853 -43.458 1.00 0.00 C ATOM 1555 CG GLU A 100 3.867 17.280 -44.876 1.00 0.00 C ATOM 1556 CD GLU A 100 4.271 18.748 -44.954 1.00 0.00 C ATOM 1557 OE1 GLU A 100 5.477 19.029 -44.770 1.00 0.00 O ATOM 1558 OE2 GLU A 100 3.371 19.585 -45.195 1.00 0.00 O ATOM 0 H GLU A 100 2.886 15.923 -41.407 1.00 0.00 H new ATOM 0 HA GLU A 100 1.943 15.501 -43.965 1.00 0.00 H new ATOM 0 HB2 GLU A 100 2.922 17.593 -42.982 1.00 0.00 H new ATOM 0 HB3 GLU A 100 4.491 16.818 -42.882 1.00 0.00 H new ATOM 0 HG2 GLU A 100 4.668 16.661 -45.279 1.00 0.00 H new ATOM 0 HG3 GLU A 100 2.989 17.111 -45.500 1.00 0.00 H new ATOM 1565 N VAL A 101 3.492 14.240 -45.403 1.00 0.00 N ATOM 1566 CA VAL A 101 4.274 13.375 -46.275 1.00 0.00 C ATOM 1567 C VAL A 101 4.445 14.075 -47.618 1.00 0.00 C ATOM 1568 O VAL A 101 3.472 14.539 -48.211 1.00 0.00 O ATOM 1569 CB VAL A 101 3.577 12.026 -46.468 1.00 0.00 C ATOM 1570 CG1 VAL A 101 4.462 11.088 -47.286 1.00 0.00 C ATOM 1571 CG2 VAL A 101 3.268 11.367 -45.127 1.00 0.00 C ATOM 0 H VAL A 101 2.712 14.693 -45.879 1.00 0.00 H new ATOM 0 HA VAL A 101 5.248 13.185 -45.823 1.00 0.00 H new ATOM 0 HB VAL A 101 2.641 12.211 -46.996 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.956 10.132 -47.417 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.657 11.531 -48.262 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.406 10.930 -46.764 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.773 10.411 -45.297 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.196 11.203 -44.580 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.613 12.016 -44.545 1.00 0.00 H new ATOM 1581 N ASP A 102 5.686 14.150 -48.097 1.00 0.00 N ATOM 1582 CA ASP A 102 6.020 14.841 -49.333 1.00 0.00 C ATOM 1583 C ASP A 102 7.278 14.231 -49.952 1.00 0.00 C ATOM 1584 O ASP A 102 8.041 14.897 -50.651 1.00 0.00 O ATOM 1585 CB ASP A 102 6.171 16.335 -49.025 1.00 0.00 C ATOM 1586 CG ASP A 102 6.403 17.167 -50.285 1.00 0.00 C ATOM 1587 OD1 ASP A 102 5.625 16.986 -51.248 1.00 0.00 O ATOM 1588 OD2 ASP A 102 7.355 17.980 -50.276 1.00 0.00 O ATOM 0 H ASP A 102 6.490 13.729 -47.632 1.00 0.00 H new ATOM 0 HA ASP A 102 5.228 14.726 -50.073 1.00 0.00 H new ATOM 0 HB2 ASP A 102 5.275 16.691 -48.517 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.005 16.480 -48.338 1.00 0.00 H new ATOM 1593 N GLU A 103 7.489 12.941 -49.684 1.00 0.00 N ATOM 1594 CA GLU A 103 8.645 12.193 -50.149 1.00 0.00 C ATOM 1595 C GLU A 103 8.286 10.718 -50.297 1.00 0.00 C ATOM 1596 O GLU A 103 7.210 10.276 -49.899 1.00 0.00 O ATOM 1597 CB GLU A 103 9.802 12.386 -49.155 1.00 0.00 C ATOM 1598 CG GLU A 103 11.053 11.555 -49.427 1.00 0.00 C ATOM 1599 CD GLU A 103 12.219 12.050 -48.576 1.00 0.00 C ATOM 1600 OE1 GLU A 103 12.287 11.648 -47.392 1.00 0.00 O ATOM 1601 OE2 GLU A 103 13.038 12.828 -49.112 1.00 0.00 O ATOM 0 H GLU A 103 6.844 12.381 -49.126 1.00 0.00 H new ATOM 0 HA GLU A 103 8.958 12.560 -51.126 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.082 13.440 -49.151 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.441 12.148 -48.154 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.855 10.506 -49.208 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.315 11.616 -50.483 1.00 0.00 H new ATOM 1608 N LEU A 104 9.224 9.972 -50.880 1.00 0.00 N ATOM 1609 CA LEU A 104 9.216 8.527 -51.000 1.00 0.00 C ATOM 1610 C LEU A 104 8.951 7.824 -49.668 1.00 0.00 C ATOM 1611 O LEU A 104 8.948 8.444 -48.603 1.00 0.00 O ATOM 1612 CB LEU A 104 10.613 8.137 -51.465 1.00 0.00 C ATOM 1613 CG LEU A 104 10.832 8.359 -52.953 1.00 0.00 C ATOM 1614 CD1 LEU A 104 12.274 8.771 -53.235 1.00 0.00 C ATOM 1615 CD2 LEU A 104 10.603 6.988 -53.560 1.00 0.00 C ATOM 0 H LEU A 104 10.053 10.390 -51.303 1.00 0.00 H new ATOM 0 HA LEU A 104 8.423 8.230 -51.686 1.00 0.00 H new ATOM 0 HB2 LEU A 104 11.349 8.714 -50.906 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.787 7.087 -51.231 1.00 0.00 H new ATOM 0 HG LEU A 104 10.181 9.140 -53.347 1.00 0.00 H new ATOM 0 HD11 LEU A 104 12.406 8.924 -54.306 1.00 0.00 H new ATOM 0 HD12 LEU A 104 12.498 9.697 -52.706 1.00 0.00 H new ATOM 0 HD13 LEU A 104 12.950 7.986 -52.895 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.738 7.041 -54.640 1.00 0.00 H new ATOM 0 HD22 LEU A 104 11.317 6.280 -53.139 1.00 0.00 H new ATOM 0 HD23 LEU A 104 9.589 6.656 -53.337 1.00 0.00 H new ATOM 1627 N PRO A 105 8.728 6.508 -49.744 1.00 0.00 N ATOM 1628 CA PRO A 105 8.588 5.603 -48.622 1.00 0.00 C ATOM 1629 C PRO A 105 9.720 5.751 -47.611 1.00 0.00 C ATOM 1630 O PRO A 105 10.783 6.286 -47.918 1.00 0.00 O ATOM 1631 CB PRO A 105 8.592 4.213 -49.264 1.00 0.00 C ATOM 1632 CG PRO A 105 7.945 4.466 -50.620 1.00 0.00 C ATOM 1633 CD PRO A 105 8.613 5.782 -50.990 1.00 0.00 C ATOM 0 HA PRO A 105 7.682 5.803 -48.050 1.00 0.00 H new ATOM 0 HB2 PRO A 105 9.603 3.817 -49.365 1.00 0.00 H new ATOM 0 HB3 PRO A 105 8.025 3.493 -48.673 1.00 0.00 H new ATOM 0 HG2 PRO A 105 8.158 3.674 -51.338 1.00 0.00 H new ATOM 0 HG3 PRO A 105 6.860 4.553 -50.555 1.00 0.00 H new ATOM 0 HD2 PRO A 105 9.591 5.615 -51.441 1.00 0.00 H new ATOM 0 HD3 PRO A 105 8.018 6.336 -51.716 1.00 0.00 H new ATOM 1641 N GLU A 106 9.482 5.263 -46.393 1.00 0.00 N ATOM 1642 CA GLU A 106 10.426 5.361 -45.287 1.00 0.00 C ATOM 1643 C GLU A 106 11.611 4.399 -45.431 1.00 0.00 C ATOM 1644 O GLU A 106 12.347 4.179 -44.471 1.00 0.00 O ATOM 1645 CB GLU A 106 9.684 5.123 -43.970 1.00 0.00 C ATOM 1646 CG GLU A 106 9.077 3.717 -43.907 1.00 0.00 C ATOM 1647 CD GLU A 106 8.342 3.504 -42.588 1.00 0.00 C ATOM 1648 OE1 GLU A 106 7.159 3.903 -42.514 1.00 0.00 O ATOM 1649 OE2 GLU A 106 8.967 2.946 -41.659 1.00 0.00 O ATOM 0 H GLU A 106 8.616 4.783 -46.147 1.00 0.00 H new ATOM 0 HA GLU A 106 10.851 6.365 -45.296 1.00 0.00 H new ATOM 0 HB2 GLU A 106 10.371 5.260 -43.135 1.00 0.00 H new ATOM 0 HB3 GLU A 106 8.894 5.866 -43.858 1.00 0.00 H new ATOM 0 HG2 GLU A 106 8.388 3.576 -44.740 1.00 0.00 H new ATOM 0 HG3 GLU A 106 9.864 2.971 -44.015 1.00 0.00 H new ATOM 1656 N GLY A 107 11.802 3.826 -46.620 1.00 0.00 N ATOM 1657 CA GLY A 107 12.842 2.835 -46.835 1.00 0.00 C ATOM 1658 C GLY A 107 12.926 2.369 -48.287 1.00 0.00 C ATOM 1659 O GLY A 107 13.168 1.186 -48.524 1.00 0.00 O ATOM 0 H GLY A 107 11.245 4.036 -47.448 1.00 0.00 H new ATOM 0 HA2 GLY A 107 13.803 3.253 -46.537 1.00 0.00 H new ATOM 0 HA3 GLY A 107 12.656 1.974 -46.192 1.00 0.00 H new ATOM 1663 N TYR A 108 12.728 3.271 -49.256 1.00 0.00 N ATOM 1664 CA TYR A 108 12.794 2.960 -50.661 1.00 0.00 C ATOM 1665 C TYR A 108 14.113 2.318 -51.072 1.00 0.00 C ATOM 1666 O TYR A 108 15.102 2.359 -50.339 1.00 0.00 O ATOM 1667 CB TYR A 108 12.648 4.290 -51.381 1.00 0.00 C ATOM 1668 CG TYR A 108 12.171 4.182 -52.799 1.00 0.00 C ATOM 1669 CD1 TYR A 108 10.802 4.011 -53.015 1.00 0.00 C ATOM 1670 CD2 TYR A 108 13.053 4.295 -53.879 1.00 0.00 C ATOM 1671 CE1 TYR A 108 10.287 4.072 -54.309 1.00 0.00 C ATOM 1672 CE2 TYR A 108 12.551 4.290 -55.189 1.00 0.00 C ATOM 1673 CZ TYR A 108 11.162 4.189 -55.410 1.00 0.00 C ATOM 1674 OH TYR A 108 10.669 4.212 -56.681 1.00 0.00 O ATOM 0 H TYR A 108 12.515 4.250 -49.067 1.00 0.00 H new ATOM 0 HA TYR A 108 12.015 2.239 -50.910 1.00 0.00 H new ATOM 0 HB2 TYR A 108 11.951 4.916 -50.823 1.00 0.00 H new ATOM 0 HB3 TYR A 108 13.611 4.800 -51.373 1.00 0.00 H new ATOM 0 HD1 TYR A 108 10.142 3.831 -52.179 1.00 0.00 H new ATOM 0 HD2 TYR A 108 14.115 4.386 -53.705 1.00 0.00 H new ATOM 0 HE1 TYR A 108 9.220 4.030 -54.469 1.00 0.00 H new ATOM 0 HE2 TYR A 108 13.228 4.363 -56.027 1.00 0.00 H new ATOM 0 HH TYR A 108 11.409 4.298 -57.317 1.00 0.00 H new ATOM 1684 N ASP A 109 14.110 1.725 -52.262 1.00 0.00 N ATOM 1685 CA ASP A 109 15.310 1.187 -52.874 1.00 0.00 C ATOM 1686 C ASP A 109 15.130 1.175 -54.391 1.00 0.00 C ATOM 1687 O ASP A 109 14.007 1.276 -54.885 1.00 0.00 O ATOM 1688 CB ASP A 109 15.574 -0.223 -52.337 1.00 0.00 C ATOM 1689 CG ASP A 109 16.913 -0.777 -52.823 1.00 0.00 C ATOM 1690 OD1 ASP A 109 17.864 0.026 -52.957 1.00 0.00 O ATOM 1691 OD2 ASP A 109 16.978 -2.003 -53.059 1.00 0.00 O ATOM 0 H ASP A 109 13.269 1.606 -52.827 1.00 0.00 H new ATOM 0 HA ASP A 109 16.171 1.808 -52.628 1.00 0.00 H new ATOM 0 HB2 ASP A 109 15.563 -0.204 -51.247 1.00 0.00 H new ATOM 0 HB3 ASP A 109 14.770 -0.888 -52.653 1.00 0.00 H new ATOM 1696 N ARG A 110 16.233 1.052 -55.136 1.00 0.00 N ATOM 1697 CA ARG A 110 16.217 1.100 -56.592 1.00 0.00 C ATOM 1698 C ARG A 110 15.593 -0.159 -57.209 1.00 0.00 C ATOM 1699 O ARG A 110 15.528 -0.278 -58.431 1.00 0.00 O ATOM 1700 CB ARG A 110 17.648 1.311 -57.083 1.00 0.00 C ATOM 1701 CG ARG A 110 17.650 1.940 -58.480 1.00 0.00 C ATOM 1702 CD ARG A 110 19.081 2.105 -58.980 1.00 0.00 C ATOM 1703 NE ARG A 110 19.841 3.044 -58.146 1.00 0.00 N ATOM 1704 CZ ARG A 110 21.153 3.263 -58.271 1.00 0.00 C ATOM 1705 NH1 ARG A 110 21.867 2.610 -59.183 1.00 0.00 N ATOM 1706 NH2 ARG A 110 21.761 4.138 -57.477 1.00 0.00 N ATOM 0 H ARG A 110 17.163 0.916 -54.740 1.00 0.00 H new ATOM 0 HA ARG A 110 15.588 1.931 -56.913 1.00 0.00 H new ATOM 0 HB2 ARG A 110 18.186 1.955 -56.387 1.00 0.00 H new ATOM 0 HB3 ARG A 110 18.175 0.357 -57.107 1.00 0.00 H new ATOM 0 HG2 ARG A 110 17.086 1.313 -59.170 1.00 0.00 H new ATOM 0 HG3 ARG A 110 17.153 2.910 -58.451 1.00 0.00 H new ATOM 0 HD2 ARG A 110 19.579 1.136 -58.984 1.00 0.00 H new ATOM 0 HD3 ARG A 110 19.068 2.461 -60.010 1.00 0.00 H new ATOM 0 HE ARG A 110 19.336 3.561 -57.426 1.00 0.00 H new ATOM 0 HH11 ARG A 110 21.414 1.933 -59.797 1.00 0.00 H new ATOM 0 HH12 ARG A 110 22.868 2.786 -59.269 1.00 0.00 H new ATOM 0 HH21 ARG A 110 21.226 4.644 -56.771 1.00 0.00 H new ATOM 0 HH22 ARG A 110 22.763 4.304 -57.574 1.00 0.00 H new ATOM 1720 N SER A 111 15.139 -1.101 -56.377 1.00 0.00 N ATOM 1721 CA SER A 111 14.557 -2.355 -56.836 1.00 0.00 C ATOM 1722 C SER A 111 13.463 -2.819 -55.880 1.00 0.00 C ATOM 1723 O SER A 111 13.773 -2.996 -54.680 1.00 0.00 O ATOM 1724 CB SER A 111 15.664 -3.400 -56.959 1.00 0.00 C ATOM 1725 OG SER A 111 15.133 -4.587 -57.508 1.00 0.00 O ATOM 1726 OXT SER A 111 12.322 -2.994 -56.360 1.00 0.00 O ATOM 0 H SER A 111 15.167 -1.010 -55.361 1.00 0.00 H new ATOM 0 HA SER A 111 14.095 -2.210 -57.813 1.00 0.00 H new ATOM 0 HB2 SER A 111 16.467 -3.022 -57.592 1.00 0.00 H new ATOM 0 HB3 SER A 111 16.098 -3.602 -55.980 1.00 0.00 H new ATOM 0 HG SER A 111 15.844 -5.257 -57.588 1.00 0.00 H new TER 1732 SER A 111 ATOM 1733 N ALA B 701 21.663 20.657 -14.885 1.00 0.00 N ATOM 1734 CA ALA B 701 20.329 20.045 -14.751 1.00 0.00 C ATOM 1735 C ALA B 701 19.606 20.586 -13.521 1.00 0.00 C ATOM 1736 O ALA B 701 20.163 21.382 -12.766 1.00 0.00 O ATOM 1737 CB ALA B 701 20.430 18.517 -14.695 1.00 0.00 C ATOM 0 HA ALA B 701 19.746 20.312 -15.632 1.00 0.00 H new ATOM 0 HB1 ALA B 701 19.432 18.090 -14.596 1.00 0.00 H new ATOM 0 HB2 ALA B 701 20.893 18.149 -15.611 1.00 0.00 H new ATOM 0 HB3 ALA B 701 21.037 18.224 -13.838 1.00 0.00 H new ATOM 1745 N ASP B 702 18.359 20.153 -13.326 1.00 0.00 N ATOM 1746 CA ASP B 702 17.524 20.579 -12.212 1.00 0.00 C ATOM 1747 C ASP B 702 16.577 19.441 -11.818 1.00 0.00 C ATOM 1748 O ASP B 702 15.492 19.675 -11.287 1.00 0.00 O ATOM 1749 CB ASP B 702 16.764 21.842 -12.624 1.00 0.00 C ATOM 1750 CG ASP B 702 16.016 22.474 -11.451 1.00 0.00 C ATOM 1751 OD1 ASP B 702 16.638 22.630 -10.377 1.00 0.00 O ATOM 1752 OD2 ASP B 702 14.823 22.798 -11.636 1.00 0.00 O ATOM 0 H ASP B 702 17.899 19.488 -13.948 1.00 0.00 H new ATOM 0 HA ASP B 702 18.132 20.815 -11.339 1.00 0.00 H new ATOM 0 HB2 ASP B 702 17.465 22.567 -13.039 1.00 0.00 H new ATOM 0 HB3 ASP B 702 16.055 21.596 -13.415 1.00 0.00 H new ATOM 1757 N THR B 703 16.994 18.200 -12.089 1.00 0.00 N ATOM 1758 CA THR B 703 16.153 17.028 -11.921 1.00 0.00 C ATOM 1759 C THR B 703 16.919 15.794 -11.485 1.00 0.00 C ATOM 1760 O THR B 703 18.129 15.660 -11.657 1.00 0.00 O ATOM 1761 CB THR B 703 15.546 16.628 -13.271 1.00 0.00 C ATOM 1762 OG1 THR B 703 16.556 16.611 -14.256 1.00 0.00 O ATOM 1763 CG2 THR B 703 14.430 17.540 -13.744 1.00 0.00 C ATOM 0 H THR B 703 17.931 17.988 -12.432 1.00 0.00 H new ATOM 0 HA THR B 703 15.420 17.313 -11.166 1.00 0.00 H new ATOM 0 HB THR B 703 15.109 15.641 -13.121 1.00 0.00 H new ATOM 0 HG1 THR B 703 16.148 16.512 -15.141 1.00 0.00 H new ATOM 0 HG21 THR B 703 14.055 17.188 -14.705 1.00 0.00 H new ATOM 0 HG22 THR B 703 13.620 17.533 -13.014 1.00 0.00 H new ATOM 0 HG23 THR B 703 14.811 18.555 -13.853 1.00 0.00 H new ATOM 1771 N GLU B 704 16.129 14.890 -10.911 1.00 0.00 N ATOM 1772 CA GLU B 704 16.441 13.483 -10.740 1.00 0.00 C ATOM 1773 C GLU B 704 15.280 12.716 -11.390 1.00 0.00 C ATOM 1774 O GLU B 704 15.263 11.489 -11.418 1.00 0.00 O ATOM 1775 CB GLU B 704 16.634 13.135 -9.263 1.00 0.00 C ATOM 1776 CG GLU B 704 15.377 13.461 -8.458 1.00 0.00 C ATOM 1777 CD GLU B 704 15.554 13.070 -6.992 1.00 0.00 C ATOM 1778 OE1 GLU B 704 15.445 11.857 -6.707 1.00 0.00 O ATOM 1779 OE2 GLU B 704 15.799 13.983 -6.173 1.00 0.00 O ATOM 0 H GLU B 704 15.212 15.135 -10.537 1.00 0.00 H new ATOM 0 HA GLU B 704 17.384 13.212 -11.214 1.00 0.00 H new ATOM 0 HB2 GLU B 704 16.871 12.076 -9.163 1.00 0.00 H new ATOM 0 HB3 GLU B 704 17.482 13.690 -8.862 1.00 0.00 H new ATOM 0 HG2 GLU B 704 15.159 14.527 -8.531 1.00 0.00 H new ATOM 0 HG3 GLU B 704 14.522 12.932 -8.879 1.00 0.00 H new ATOM 1786 N MET B 705 14.305 13.474 -11.915 1.00 0.00 N ATOM 1787 CA MET B 705 13.104 12.998 -12.580 1.00 0.00 C ATOM 1788 C MET B 705 13.458 12.409 -13.936 1.00 0.00 C ATOM 1789 O MET B 705 12.762 11.547 -14.464 1.00 0.00 O ATOM 1790 CB MET B 705 12.203 14.209 -12.885 1.00 0.00 C ATOM 1791 CG MET B 705 11.971 15.195 -11.731 1.00 0.00 C ATOM 1792 SD MET B 705 10.477 14.891 -10.765 1.00 0.00 S ATOM 1793 CE MET B 705 10.745 13.130 -10.526 1.00 0.00 C ATOM 0 H MET B 705 14.346 14.493 -11.879 1.00 0.00 H new ATOM 0 HA MET B 705 12.622 12.260 -11.938 1.00 0.00 H new ATOM 0 HB2 MET B 705 12.639 14.757 -13.720 1.00 0.00 H new ATOM 0 HB3 MET B 705 11.234 13.838 -13.218 1.00 0.00 H new ATOM 0 HG2 MET B 705 12.832 15.160 -11.063 1.00 0.00 H new ATOM 0 HG3 MET B 705 11.924 16.205 -12.138 1.00 0.00 H new ATOM 0 HE1 MET B 705 10.156 12.784 -9.676 1.00 0.00 H new ATOM 0 HE2 MET B 705 10.440 12.591 -11.423 1.00 0.00 H new ATOM 0 HE3 MET B 705 11.802 12.946 -10.334 1.00 0.00 H new ATOM 1803 N GLU B 706 14.568 12.909 -14.482 1.00 0.00 N ATOM 1804 CA GLU B 706 15.052 12.610 -15.814 1.00 0.00 C ATOM 1805 C GLU B 706 16.296 11.725 -15.673 1.00 0.00 C ATOM 1806 O GLU B 706 17.157 11.659 -16.548 1.00 0.00 O ATOM 1807 CB GLU B 706 15.242 13.954 -16.535 1.00 0.00 C ATOM 1808 CG GLU B 706 15.653 13.796 -18.002 1.00 0.00 C ATOM 1809 CD GLU B 706 15.649 15.146 -18.712 1.00 0.00 C ATOM 1810 OE1 GLU B 706 16.602 15.926 -18.475 1.00 0.00 O ATOM 1811 OE2 GLU B 706 14.697 15.395 -19.482 1.00 0.00 O ATOM 0 H GLU B 706 15.173 13.559 -13.980 1.00 0.00 H new ATOM 0 HA GLU B 706 14.365 12.034 -16.434 1.00 0.00 H new ATOM 0 HB2 GLU B 706 14.313 14.522 -16.483 1.00 0.00 H new ATOM 0 HB3 GLU B 706 16.001 14.536 -16.012 1.00 0.00 H new ATOM 0 HG2 GLU B 706 16.647 13.352 -18.061 1.00 0.00 H new ATOM 0 HG3 GLU B 706 14.968 13.113 -18.505 1.00 0.00 H new ATOM 1818 N GLU B 707 16.367 11.042 -14.530 1.00 0.00 N ATOM 1819 CA GLU B 707 17.396 10.079 -14.186 1.00 0.00 C ATOM 1820 C GLU B 707 16.697 8.867 -13.563 1.00 0.00 C ATOM 1821 O GLU B 707 15.503 8.926 -13.258 1.00 0.00 O ATOM 1822 CB GLU B 707 18.412 10.736 -13.244 1.00 0.00 C ATOM 1823 CG GLU B 707 19.637 9.844 -13.033 1.00 0.00 C ATOM 1824 CD GLU B 707 20.775 10.617 -12.372 1.00 0.00 C ATOM 1825 OE1 GLU B 707 20.584 11.060 -11.218 1.00 0.00 O ATOM 1826 OE2 GLU B 707 21.831 10.760 -13.027 1.00 0.00 O ATOM 0 H GLU B 707 15.674 11.155 -13.790 1.00 0.00 H new ATOM 0 HA GLU B 707 17.956 9.744 -15.059 1.00 0.00 H new ATOM 0 HB2 GLU B 707 18.725 11.695 -13.656 1.00 0.00 H new ATOM 0 HB3 GLU B 707 17.940 10.941 -12.283 1.00 0.00 H new ATOM 0 HG2 GLU B 707 19.366 8.990 -12.413 1.00 0.00 H new ATOM 0 HG3 GLU B 707 19.972 9.448 -13.992 1.00 0.00 H new ATOM 1833 N VAL B 708 17.422 7.760 -13.381 1.00 0.00 N ATOM 1834 CA VAL B 708 16.814 6.506 -12.957 1.00 0.00 C ATOM 1835 C VAL B 708 16.425 6.501 -11.471 1.00 0.00 C ATOM 1836 O VAL B 708 16.465 7.540 -10.810 1.00 0.00 O ATOM 1837 CB VAL B 708 17.708 5.324 -13.340 1.00 0.00 C ATOM 1838 CG1 VAL B 708 18.265 5.519 -14.739 1.00 0.00 C ATOM 1839 CG2 VAL B 708 18.862 5.091 -12.377 1.00 0.00 C ATOM 0 H VAL B 708 18.431 7.712 -13.522 1.00 0.00 H new ATOM 0 HA VAL B 708 15.871 6.398 -13.494 1.00 0.00 H new ATOM 0 HB VAL B 708 17.069 4.442 -13.295 1.00 0.00 H new ATOM 0 HG11 VAL B 708 18.899 4.672 -15.000 1.00 0.00 H new ATOM 0 HG12 VAL B 708 17.443 5.590 -15.451 1.00 0.00 H new ATOM 0 HG13 VAL B 708 18.853 6.436 -14.772 1.00 0.00 H new ATOM 0 HG21 VAL B 708 19.450 4.238 -12.714 1.00 0.00 H new ATOM 0 HG22 VAL B 708 19.494 5.978 -12.346 1.00 0.00 H new ATOM 0 HG23 VAL B 708 18.469 4.890 -11.380 1.00 0.00 H new ATOM 1849 N ASP B 709 16.044 5.321 -10.955 1.00 0.00 N ATOM 1850 CA ASP B 709 15.450 5.114 -9.635 1.00 0.00 C ATOM 1851 C ASP B 709 14.465 6.232 -9.287 1.00 0.00 C ATOM 1852 O ASP B 709 13.505 6.383 -10.074 1.00 0.00 O ATOM 1853 CB ASP B 709 16.496 4.847 -8.541 1.00 0.00 C ATOM 1854 CG ASP B 709 17.658 5.847 -8.500 1.00 0.00 C ATOM 1855 OD1 ASP B 709 17.488 6.940 -7.912 1.00 0.00 O ATOM 1856 OD2 ASP B 709 18.723 5.504 -9.061 1.00 0.00 O ATOM 1857 OXT ASP B 709 14.672 6.915 -8.260 1.00 0.00 O ATOM 0 H ASP B 709 16.149 4.449 -11.474 1.00 0.00 H new ATOM 0 HA ASP B 709 14.867 4.194 -9.683 1.00 0.00 H new ATOM 0 HB2 ASP B 709 15.997 4.853 -7.572 1.00 0.00 H new ATOM 0 HB3 ASP B 709 16.902 3.846 -8.684 1.00 0.00 H new TER 1862 ASP B 709